4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-2-(phenethylamino)butanoic acid

Systemtic Name: 4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-2-(phenethylamino)butanoic acid Openeye Name: 4-(3-chloro-2-methyl-anilino)-4-oxo-2-(phenethylamino)butanoic acid CAS Name: 4-(3-chloro-2-methylanilino)-4-oxo-2-(phenethylamino)butanoic acid IUPAC Name: 4-(3-chloro-2-methylanilino)-4-oxo-2-(phenethylamino)butanoic acid Traditional Name: 4-(3-chloro-2-methyl-anilino)-4-keto-2-(phenethylamino)butyric acid Formula: C19H21ClN2O3 MolecularWeight: 360.83464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CC(C(=O)O)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CC(C(=O)O)NCCC2=CC=CC=C2

InChI

InChI=1S/C19H21ClN2O3/c1-13-15(20)8-5-9-16(13)22-18(23)12-17(19(24)25)21-11-10-14-6-3-2-4-7-14/h2-9,17,21H,10-12H2,1H3,(H,22,23)(H,24,25)