methyl 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-5-carboxylate

Systemtic Name: methyl 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-5-carboxylate Openeye Name: methyl 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-5-carboxylate CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(2-methyl-1-oxopropyl)-2-propyl-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(2-methylpropanoyl)-2-propylindole-5-carboxylate Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-isobutyryl-2-propyl-indole-5-carboxylic acid methyl ester Formula: C25H26ClNO5 MolecularWeight: 455.93064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CC4=C(C=C3Cl)OCO4)C=CC(=C2)C(=O)OC)C(=O)C(C)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CC4=C(C=C3Cl)OCO4)C=CC(=C2)C(=O)OC)C(=O)C(C)C

InChI

InChI=1S/C25H26ClNO5/c1-5-6-20-23(24(28)14(2)3)17-9-15(25(29)30-4)7-8-19(17)27(20)12-16-10-21-22(11-18(16)26)32-13-31-21/h7-11,14H,5-6,12-13H2,1-4H3