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

Systemtic Name: 2-(1-butyl-2-methyl-indol-3-yl)carbonylbenzoic acid Openeye Name: 2-(1-butyl-2-methyl-indole-3-carbonyl)benzoic acid CAS Name: 2-[(1-butyl-2-methyl-3-indolyl)-oxomethyl]benzoic acid IUPAC Name: 2-(1-butyl-2-methylindole-3-carbonyl)benzoic acid Traditional Name: 2-(1-butyl-2-methyl-indole-3-carbonyl)benzoic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CCCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C21H21NO3/c1-3-4-13-22-14(2)19(17-11-7-8-12-18(17)22)20(23)15-9-5-6-10-16(15)21(24)25/h5-12H,3-4,13H2,1-2H3,(H,24,25)