[(2R,4S)-3,3,6-trimethyl-2-(4-methylphenyl)-2,4-dihydro-1H-quinolin-4-yl] ethanoate

Systemtic Name: [(2R,4S)-3,3,6-trimethyl-2-(4-methylphenyl)-2,4-dihydro-1H-quinolin-4-yl] ethanoate Openeye Name: [(2R,4S)-3,3,6-trimethyl-2-(p-tolyl)-2,4-dihydro-1H-quinolin-4-yl] acetate CAS Name: acetic acid [(2R,4S)-3,3,6-trimethyl-2-(4-methylphenyl)-2,4-dihydro-1H-quinolin-4-yl] ester IUPAC Name: [(2R,4S)-3,3,6-trimethyl-2-(4-methylphenyl)-2,4-dihydro-1H-quinolin-4-yl] acetate Traditional Name: acetic acid [(2R,4S)-3,3,6-trimethyl-2-(p-tolyl)-2,4-dihydro-1H-quinolin-4-yl] ester Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(C3=C(N2)C=CC(=C3)C)OC(=O)C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2C([C@@H](C3=C(N2)C=CC(=C3)C)OC(=O)C)(C)C

InChI

InChI=1S/C21H25NO2/c1-13-6-9-16(10-7-13)19-21(4,5)20(24-15(3)23)17-12-14(2)8-11-18(17)22-19/h6-12,19-20,22H,1-5H3/t19-,20-/m1/s1