2-[(4-chlorophenyl)carbonylamino]-3-[2-oxidanylidene-1-(phenylmethyl)quinolin-4-yl]propanoic acid

Systemtic Name: 2-[(4-chlorophenyl)carbonylamino]-3-[2-oxidanylidene-1-(phenylmethyl)quinolin-4-yl]propanoic acid Openeye Name: 3-(1-benzyl-2-oxo-4-quinolyl)-2-[(4-chlorobenzoyl)amino]propanoic acid CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-3-[2-oxo-1-(phenylmethyl)-4-quinolinyl]propanoic acid IUPAC Name: 3-(1-benzyl-2-oxoquinolin-4-yl)-2-[(4-chlorobenzoyl)amino]propanoic acid Traditional Name: 3-(1-benzyl-2-keto-4-quinolyl)-2-[(4-chlorobenzoyl)amino]propionic acid Formula: C26H21ClN2O4 MolecularWeight: 460.90894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=CC2=O)CC(C(=O)O)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=CC2=O)CC(C(=O)O)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H21ClN2O4/c27-20-12-10-18(11-13-20)25(31)28-22(26(32)33)14-19-15-24(30)29(16-17-6-2-1-3-7-17)23-9-5-4-8-21(19)23/h1-13,15,22H,14,16H2,(H,28,31)(H,32,33)