2-[(3,5-dimethylphenyl)methyl]-3-methyl-4-oxidanylidene-4-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 2-[(3,5-dimethylphenyl)methyl]-3-methyl-4-oxidanylidene-4-[(phenylmethyl)amino]butanoic acid Openeye Name: 4-(benzylamino)-2-[(3,5-dimethylphenyl)methyl]-3-methyl-4-oxo-butanoic acid CAS Name: 2-[(3,5-dimethylphenyl)methyl]-3-methyl-4-oxo-4-[(phenylmethyl)amino]butanoic acid IUPAC Name: 4-(benzylamino)-2-[(3,5-dimethylphenyl)methyl]-3-methyl-4-oxobutanoic acid Traditional Name: 4-(benzylamino)-2-(3,5-dimethylbenzyl)-4-keto-3-methyl-butyric acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC(C(C)C(=O)NCC2=CC=CC=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)CC(C(C)C(=O)NCC2=CC=CC=C2)C(=O)O)C

InChI

InChI=1S/C21H25NO3/c1-14-9-15(2)11-18(10-14)12-19(21(24)25)16(3)20(23)22-13-17-7-5-4-6-8-17/h4-11,16,19H,12-13H2,1-3H3,(H,22,23)(H,24,25)