(3S)-3-[(4-chloranyl-1H-pyrrol-2-yl)carbonylamino]-3-(4-methylphenyl)propanoic acid

Systemtic Name: (3S)-3-[(4-chloranyl-1H-pyrrol-2-yl)carbonylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: (3S)-3-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-(p-tolyl)propanoic acid CAS Name: (3S)-3-[[(4-chloro-1H-pyrrol-2-yl)-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: (3S)-3-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-(4-methylphenyl)propanoic acid Traditional Name: (3S)-3-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-(p-tolyl)propionic acid Formula: C15H15ClN2O3 MolecularWeight: 306.7442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=CN2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC(=O)O)NC(=O)C2=CC(=CN2)Cl

InChI

InChI=1S/C15H15ClN2O3/c1-9-2-4-10(5-3-9)12(7-14(19)20)18-15(21)13-6-11(16)8-17-13/h2-6,8,12,17H,7H2,1H3,(H,18,21)(H,19,20)/t12-/m0/s1