2-(2-methyl-1-octyl-indol-3-yl)carbonylbenzoic acid

Systemtic Name: 2-(2-methyl-1-octyl-indol-3-yl)carbonylbenzoic acid Openeye Name: 2-(2-methyl-1-octyl-indole-3-carbonyl)benzoic acid CAS Name: 2-[(2-methyl-1-octyl-3-indolyl)-oxomethyl]benzoic acid IUPAC Name: 2-(2-methyl-1-octylindole-3-carbonyl)benzoic acid Traditional Name: 2-(2-methyl-1-octyl-indole-3-carbonyl)benzoic acid Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CCCCCCCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C25H29NO3/c1-3-4-5-6-7-12-17-26-18(2)23(21-15-10-11-16-22(21)26)24(27)19-13-8-9-14-20(19)25(28)29/h8-11,13-16H,3-7,12,17H2,1-2H3,(H,28,29)