[(2R,4S)-2,6-dimethyl-1-(phenylcarbonyl)-3,4-dihydro-2H-quinolin-4-yl] pentanoate

Systemtic Name: [(2R,4S)-2,6-dimethyl-1-(phenylcarbonyl)-3,4-dihydro-2H-quinolin-4-yl] pentanoate Openeye Name: [(2R,4S)-1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl] pentanoate CAS Name: pentanoic acid [(2R,4S)-1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl] ester IUPAC Name: [(2R,4S)-1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl] pentanoate Traditional Name: valeric acid [(2R,4S)-1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl] ester Formula: C23H27NO3 MolecularWeight: 365.46538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1CC(N(C2=C1C=C(C=C2)C)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCCCC(=O)O[C@H]1C[C@H](N(C2=C1C=C(C=C2)C)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C23H27NO3/c1-4-5-11-22(25)27-21-15-17(3)24(20-13-12-16(2)14-19(20)21)23(26)18-9-7-6-8-10-18/h6-10,12-14,17,21H,4-5,11,15H2,1-3H3/t17-,21+/m1/s1