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

Systemtic Name: 4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)amino]butanoic acid Openeye Name: 2-(benzylamino)-4-(3-chloro-2-methyl-anilino)-4-oxo-butanoic acid CAS Name: 4-(3-chloro-2-methylanilino)-4-oxo-2-[(phenylmethyl)amino]butanoic acid IUPAC Name: 2-(benzylamino)-4-(3-chloro-2-methylanilino)-4-oxobutanoic acid Traditional Name: 2-(benzylamino)-4-(3-chloro-2-methyl-anilino)-4-keto-butyric acid Formula: C18H19ClN2O3 MolecularWeight: 346.80806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CC(C(=O)O)NCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CC(C(=O)O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H19ClN2O3/c1-12-14(19)8-5-9-15(12)21-17(22)10-16(18(23)24)20-11-13-6-3-2-4-7-13/h2-9,16,20H,10-11H2,1H3,(H,21,22)(H,23,24)