2-[5-methoxy-2-methyl-1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-methoxy-2-methyl-1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]indol-3-yl]ethanoic acid Openeye Name: 2-[5-methoxy-2-methyl-1-[2-oxo-2-(p-tolyl)ethyl]indol-3-yl]acetic acid CAS Name: 2-[5-methoxy-2-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]-3-indolyl]acetic acid IUPAC Name: 2-[5-methoxy-2-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]indol-3-yl]acetic acid Traditional Name: 2-[1-[2-keto-2-(p-tolyl)ethyl]-5-methoxy-2-methyl-indol-3-yl]acetic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C(=C(C3=C2C=CC(=C3)OC)CC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C(=C(C3=C2C=CC(=C3)OC)CC(=O)O)C

InChI

InChI=1S/C21H21NO4/c1-13-4-6-15(7-5-13)20(23)12-22-14(2)17(11-21(24)25)18-10-16(26-3)8-9-19(18)22/h4-10H,11-12H2,1-3H3,(H,24,25)