2-[4-[4-benzamido-5-(dipropylamino)-5-oxidanylidene-pentanoyl]piperazin-1-ium-1-yl]ethyl 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-[4-[4-benzamido-5-(dipropylamino)-5-oxidanylidene-pentanoyl]piperazin-1-ium-1-yl]ethyl 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-[4-[4-benzamido-5-(dipropylamino)-5-oxo-pentanoyl]piperazin-1-ium-1-yl]ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate; 2-hydroxy-2-oxo-acetate CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetic acid 2-[4-[4-benzamido-5-(dipropylamino)-1,5-dioxopentyl]-1-piperazin-1-iumyl]ethyl ester; 2-hydroxy-2-oxoacetate IUPAC Name: 2-[4-[4-benzamido-5-(dipropylamino)-5-oxopentanoyl]piperazin-1-ium-1-yl]ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate; 2-hydroxy-2-oxoacetate Traditional Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid 2-[4-[4-benzamido-5-(dipropylamino)-5-keto-pentanoyl]piperazin-1-ium-1-yl]ethyl ester binoxalate Formula: C45H54ClN5O11 MolecularWeight: 876.39016

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C(CCC(=O)N1CC[NH+](CC1)CCOC(=O)CC2=C(N(C3=C2C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl)C)NC(=O)C5=CC=CC=C5.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCN(CCC)C(=O)C(CCC(=O)N1CC[NH+](CC1)CCOC(=O)CC2=C(N(C3=C2C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl)C)NC(=O)C5=CC=CC=C5.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C43H52ClN5O7.C2H2O4/c1-5-20-48(21-6-2)43(54)37(45-41(52)31-10-8-7-9-11-31)17-19-39(50)47-24-22-46(23-25-47)26-27-56-40(51)29-35-30(3)49(38-18-16-34(55-4)28-36(35)38)42(53)32-12-14-33(44)15-13-32;3-1(4)2(5)6/h7-16,18,28,37H,5-6,17,19-27,29H2,1-4H3,(H,45,52);(H,3,4)(H,5,6)