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

Systemtic Name: 2-(2-methyl-1-pentyl-indol-3-yl)carbonylbenzoic acid Openeye Name: 2-(2-methyl-1-pentyl-indole-3-carbonyl)benzoic acid CAS Name: 2-[(2-methyl-1-pentyl-3-indolyl)-oxomethyl]benzoic acid IUPAC Name: 2-(2-methyl-1-pentylindole-3-carbonyl)benzoic acid Traditional Name: 2-(1-amyl-2-methyl-indole-3-carbonyl)benzoic acid Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CCCCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C22H23NO3/c1-3-4-9-14-23-15(2)20(18-12-7-8-13-19(18)23)21(24)16-10-5-6-11-17(16)22(25)26/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,25,26)