(2S)-4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-2-(phenylmethyl)butanoate

Systemtic Name: (2S)-4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-2-(phenylmethyl)butanoate Openeye Name: (2S)-2-benzyl-4-(3-chloro-2-methyl-anilino)-4-oxo-butanoate CAS Name: (2S)-4-(3-chloro-2-methylanilino)-4-oxo-2-(phenylmethyl)butanoate IUPAC Name: (2S)-2-benzyl-4-(3-chloro-2-methylanilino)-4-oxobutanoate Traditional Name: (2S)-2-benzyl-4-(3-chloro-2-methyl-anilino)-4-keto-butyrate Formula: C18H17ClNO3- MolecularWeight: 330.78548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CC(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C[C@H](CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C18H18ClNO3/c1-12-15(19)8-5-9-16(12)20-17(21)11-14(18(22)23)10-13-6-3-2-4-7-13/h2-9,14H,10-11H2,1H3,(H,20,21)(H,22,23)/p-1/t14-/m0/s1