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

Systemtic Name: phenethyl (4S)-4-(4-acetyloxy-3-methoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: phenethyl (4S)-4-(4-acetoxy-3-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(4-acetyloxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4S)-4-(4-acetyloxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(4-acetoxy-3-methoxy-phenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester Formula: C30H33NO6 MolecularWeight: 503.58612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33NO6/c1-18-26(29(34)36-14-13-20-9-7-6-8-10-20)27(28-22(31-18)16-30(3,4)17-23(28)33)21-11-12-24(37-19(2)32)25(15-21)35-5/h6-12,15,26-27H,13-14,16-17H2,1-5H3/t26?,27-/m1/s1