methyl (4S)-4-(4-acetyloxy-3-ethoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl (4S)-4-(4-acetyloxy-3-ethoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl (4S)-4-(4-acetoxy-3-ethoxy-phenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(4-acetyloxy-3-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(4-acetyloxy-3-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(4-acetoxy-3-ethoxy-phenyl)-5-keto-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C24H29NO6 MolecularWeight: 427.49016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3C(=NC(=C2C(=O)OC)C)CC(CC3=O)(C)C)OC(=O)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2C3C(=NC(=C2C(=O)OC)C)CC(CC3=O)(C)C)OC(=O)C

InChI

InChI=1S/C24H29NO6/c1-7-30-19-10-15(8-9-18(19)31-14(3)26)21-20(23(28)29-6)13(2)25-16-11-24(4,5)12-17(27)22(16)21/h8-10,21-22H,7,11-12H2,1-6H3/t21-,22?/m0/s1