2-[5-ethoxy-2-methyl-1-(4-methylphenyl)carbonyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-ethoxy-2-methyl-1-(4-methylphenyl)carbonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-ethoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic acid CAS Name: 2-[5-ethoxy-2-methyl-1-[(4-methylphenyl)-oxomethyl]-3-indolyl]acetic acid IUPAC Name: 2-[5-ethoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic acid Traditional Name: 2-(5-ethoxy-2-methyl-1-p-toluoyl-indol-3-yl)acetic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=C2CC(=O)O)C)C(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=C2CC(=O)O)C)C(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H21NO4/c1-4-26-16-9-10-19-18(11-16)17(12-20(23)24)14(3)22(19)21(25)15-7-5-13(2)6-8-15/h5-11H,4,12H2,1-3H3,(H,23,24)