(3R)-3-[(3,5-dimethylphenyl)methyl]-4-oxidanylidene-4-[(phenylmethyl)amino]butanoate

Systemtic Name: (3R)-3-[(3,5-dimethylphenyl)methyl]-4-oxidanylidene-4-[(phenylmethyl)amino]butanoate Openeye Name: (3R)-4-(benzylamino)-3-[(3,5-dimethylphenyl)methyl]-4-oxo-butanoate CAS Name: (3R)-3-[(3,5-dimethylphenyl)methyl]-4-oxo-4-[(phenylmethyl)amino]butanoate IUPAC Name: (3R)-4-(benzylamino)-3-[(3,5-dimethylphenyl)methyl]-4-oxobutanoate Traditional Name: (3R)-4-(benzylamino)-3-(3,5-dimethylbenzyl)-4-keto-butyrate Formula: C20H22NO3- MolecularWeight: 324.39358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC(CC(=O)[O-])C(=O)NCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)C[C@H](CC(=O)[O-])C(=O)NCC2=CC=CC=C2)C

InChI

InChI=1S/C20H23NO3/c1-14-8-15(2)10-17(9-14)11-18(12-19(22)23)20(24)21-13-16-6-4-3-5-7-16/h3-10,18H,11-13H2,1-2H3,(H,21,24)(H,22,23)/p-1/t18-/m1/s1