[(2S,4S)-2,6-dimethyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl] benzoate

Systemtic Name: [(2S,4S)-2,6-dimethyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl] benzoate Openeye Name: [(2S,4S)-2,6-dimethyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl] benzoate CAS Name: benzoic acid [(2S,4S)-2,6-dimethyl-1-(1-oxopropyl)-3,4-dihydro-2H-quinolin-4-yl] ester IUPAC Name: [(2S,4S)-2,6-dimethyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl] benzoate Traditional Name: benzoic acid [(2S,4S)-2,6-dimethyl-1-propionyl-3,4-dihydro-2H-quinolin-4-yl] ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(CC(C2=C1C=CC(=C2)C)OC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCC(=O)N1[C@H](C[C@@H](C2=C1C=CC(=C2)C)OC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H23NO3/c1-4-20(23)22-15(3)13-19(17-12-14(2)10-11-18(17)22)25-21(24)16-8-6-5-7-9-16/h5-12,15,19H,4,13H2,1-3H3/t15-,19-/m0/s1