[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] (2R,3S)-3-methyl-2-phenyl-pentanoate

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] (2R,3S)-3-methyl-2-phenyl-pentanoate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] (2R,3S)-3-methyl-2-phenyl-pentanoate CAS Name: (2R,3S)-3-methyl-2-phenylpentanoic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate Traditional Name: (2R,3S)-3-methyl-2-phenyl-valeric acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO3/c1-4-17(3)21(19-8-6-5-7-9-19)22(25)26-15-20(24)23-14-18-12-10-16(2)11-13-18/h5-13,17,21H,4,14-15H2,1-3H3,(H,23,24)/t17-,21+/m0/s1