phenethyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-phenyl-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: phenethyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-phenyl-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: phenethyl (4S)-2,7,7-trimethyl-5-oxo-4-phenyl-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-phenyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4S)-2,7,7-trimethyl-5-oxo-4-phenyl-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-phenyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester Formula: C27H29NO3 MolecularWeight: 415.52406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCC3=CC=CC=C3)C4=CC=CC=C4)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCC3=CC=CC=C3)C4=CC=CC=C4)C(=O)CC(C2)(C)C

InChI

InChI=1S/C27H29NO3/c1-18-23(26(30)31-15-14-19-10-6-4-7-11-19)24(20-12-8-5-9-13-20)25-21(28-18)16-27(2,3)17-22(25)29/h4-13,23-24H,14-17H2,1-3H3/t23?,24-/m1/s1