3-[5-(4-chlorophenyl)-1-[(4-methylphenyl)carbonylamino]pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[5-(4-chlorophenyl)-1-[(4-methylphenyl)carbonylamino]pyrrol-2-yl]propanoic acid Openeye Name: 3-[5-(4-chlorophenyl)-1-[(4-methylbenzoyl)amino]pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(4-chlorophenyl)-1-[[(4-methylphenyl)-oxomethyl]amino]-2-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(4-chlorophenyl)-1-[(4-methylbenzoyl)amino]pyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(4-chlorophenyl)-1-(p-toluoylamino)pyrrol-2-yl]propionic acid Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NN2C(=CC=C2C3=CC=C(C=C3)Cl)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NN2C(=CC=C2C3=CC=C(C=C3)Cl)CCC(=O)O

InChI

InChI=1S/C21H19ClN2O3/c1-14-2-4-16(5-3-14)21(27)23-24-18(11-13-20(25)26)10-12-19(24)15-6-8-17(22)9-7-15/h2-10,12H,11,13H2,1H3,(H,23,27)(H,25,26)