3-[(3,5-dimethylphenyl)methyl]-4-oxidanylidene-4-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 3-[(3,5-dimethylphenyl)methyl]-4-oxidanylidene-4-[(phenylmethyl)amino]butanoic acid Openeye Name: 4-(benzylamino)-3-[(3,5-dimethylphenyl)methyl]-4-oxo-butanoic acid CAS Name: 3-[(3,5-dimethylphenyl)methyl]-4-oxo-4-[(phenylmethyl)amino]butanoic acid IUPAC Name: 4-(benzylamino)-3-[(3,5-dimethylphenyl)methyl]-4-oxobutanoic acid Traditional Name: 4-(benzylamino)-3-(3,5-dimethylbenzyl)-4-keto-butyric acid Formula: C20H23NO3 MolecularWeight: 325.40152

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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)CC(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)