3-(1-butanoyloxyindol-2-yl)carbonyl-2-[[4-(2-methylpropyl)phenyl]methoxy]benzoic acid

Systemtic Name: 3-(1-butanoyloxyindol-2-yl)carbonyl-2-[[4-(2-methylpropyl)phenyl]methoxy]benzoic acid Openeye Name: 3-(1-butanoyloxyindole-2-carbonyl)-2-[(4-isobutylphenyl)methoxy]benzoic acid CAS Name: 2-[[4-(2-methylpropyl)phenyl]methoxy]-3-[oxo-[1-(1-oxobutoxy)-2-indolyl]methyl]benzoic acid IUPAC Name: 3-(1-butanoyloxyindole-2-carbonyl)-2-[[4-(2-methylpropyl)phenyl]methoxy]benzoic acid Traditional Name: 3-(1-butyryloxyindole-2-carbonyl)-2-(4-isobutylbenzyl)oxy-benzoic acid Formula: C31H31NO6 MolecularWeight: 513.58094

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ON1C2=CC=CC=C2C=C1C(=O)C3=C(C(=CC=C3)C(=O)O)OCC4=CC=C(C=C4)CC(C)C

Isomeric SMILES

CCCC(=O)ON1C2=CC=CC=C2C=C1C(=O)C3=C(C(=CC=C3)C(=O)O)OCC4=CC=C(C=C4)CC(C)C

InChI

InChI=1S/C31H31NO6/c1-4-8-28(33)38-32-26-12-6-5-9-23(26)18-27(32)29(34)24-10-7-11-25(31(35)36)30(24)37-19-22-15-13-21(14-16-22)17-20(2)3/h5-7,9-16,18,20H,4,8,17,19H2,1-3H3,(H,35,36)