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

Systemtic Name: 2-[(4-chlorophenyl)carbonylamino]-3-(2-oxidanylidene-1-prop-2-ynyl-quinolin-4-yl)propanoic acid Openeye Name: 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1-prop-2-ynyl-4-quinolyl)propanoic acid CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-3-(2-oxo-1-prop-2-ynyl-4-quinolinyl)propanoic acid IUPAC Name: 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1-prop-2-ynylquinolin-4-yl)propanoic acid Traditional Name: 2-[(4-chlorobenzoyl)amino]-3-(2-keto-1-propargyl-4-quinolyl)propionic acid Formula: C22H17ClN2O4 MolecularWeight: 408.83438

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=CC=CC=C2C(=CC1=O)CC(C(=O)O)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C#CCN1C2=CC=CC=C2C(=CC1=O)CC(C(=O)O)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H17ClN2O4/c1-2-11-25-19-6-4-3-5-17(19)15(13-20(25)26)12-18(22(28)29)24-21(27)14-7-9-16(23)10-8-14/h1,3-10,13,18H,11-12H2,(H,24,27)(H,28,29)