[(4aR,8aR)-7-oxidanylidene-1-(phenylmethyl)-3,4,8,8a-tetrahydro-2H-quinolin-4a-yl] ethanoate

Systemtic Name: [(4aR,8aR)-7-oxidanylidene-1-(phenylmethyl)-3,4,8,8a-tetrahydro-2H-quinolin-4a-yl] ethanoate Openeye Name: [(4aR,8aR)-1-benzyl-7-oxo-3,4,8,8a-tetrahydro-2H-quinolin-4a-yl] acetate CAS Name: acetic acid [(4aR,8aR)-7-oxo-1-(phenylmethyl)-3,4,8,8a-tetrahydro-2H-quinolin-4a-yl] ester IUPAC Name: [(4aR,8aR)-1-benzyl-7-oxo-3,4,8,8a-tetrahydro-2H-quinolin-4a-yl] acetate Traditional Name: acetic acid [(4aR,8aR)-1-benzyl-7-keto-3,4,8,8a-tetrahydro-2H-quinolin-4a-yl] ester Formula: C18H21NO3 MolecularWeight: 299.36424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC12CCCN(C1CC(=O)C=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)O[C@@]12CCCN([C@@H]1CC(=O)C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H21NO3/c1-14(20)22-18-9-5-11-19(13-15-6-3-2-4-7-15)17(18)12-16(21)8-10-18/h2-4,6-8,10,17H,5,9,11-13H2,1H3/t17-,18-/m1/s1