ethanedioic acid; 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate

Systemtic Name: ethanedioic acid; 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate Openeye Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate; oxalic acid CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetic acid 3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl ester; oxalic acid IUPAC Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate; oxalic acid Traditional Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid 3-[4-(2-hydroxyethyl)piperazino]propyl ester; oxalic acid Formula: C32H38ClN3O13 MolecularWeight: 708.10942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCCCN4CCN(CC4)CCO.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCCCN4CCN(CC4)CCO.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H34ClN3O5.2C2H2O4/c1-20-24(19-27(34)37-17-3-10-30-11-13-31(14-12-30)15-16-33)25-18-23(36-2)8-9-26(25)32(20)28(35)21-4-6-22(29)7-5-21;2*3-1(4)2(5)6/h4-9,18,33H,3,10-17,19H2,1-2H3;2*(H,3,4)(H,5,6)