3-[1-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-5-phenyl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-5-phenyl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[2-(4-methylanilino)-2-oxo-ethyl]-5-phenyl-pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[2-(4-methylanilino)-2-oxoethyl]-5-phenyl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[2-(4-methylanilino)-2-oxoethyl]-5-phenylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[2-keto-2-(p-toluidino)ethyl]-5-phenyl-pyrrol-2-yl]propionic acid Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2C(=CC=C2C3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2C(=CC=C2C3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C22H22N2O3/c1-16-7-9-18(10-8-16)23-21(25)15-24-19(12-14-22(26)27)11-13-20(24)17-5-3-2-4-6-17/h2-11,13H,12,14-15H2,1H3,(H,23,25)(H,26,27)