4-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(2S)-2-(dimethylamino)-2-(p-tolyl)ethyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(2S)-2-(dimethylamino)-2-(p-tolyl)ethyl]amino]-4-keto-butyric acid Formula: C15H22N2O3 MolecularWeight: 278.34678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)CCC(=O)O)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](CNC(=O)CCC(=O)O)N(C)C

InChI

InChI=1S/C15H22N2O3/c1-11-4-6-12(7-5-11)13(17(2)3)10-16-14(18)8-9-15(19)20/h4-7,13H,8-10H2,1-3H3,(H,16,18)(H,19,20)/t13-/m1/s1