phenethyl 4-(4-acetyloxy-3-ethoxy-phenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: phenethyl 4-(4-acetyloxy-3-ethoxy-phenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl 4-(4-acetoxy-3-ethoxy-phenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(4-acetyloxy-3-ethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(4-acetyloxy-3-ethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(4-acetoxy-3-ethoxy-phenyl)-5-keto-7-(4-methoxyphenyl)-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester Formula: C36H37NO7 MolecularWeight: 595.68148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3C(=O)CC(C=C3NC(=C2C(=O)OCCC4=CC=CC=C4)C)C5=CC=C(C=C5)OC)OC(=O)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C3C(=O)CC(C=C3NC(=C2C(=O)OCCC4=CC=CC=C4)C)C5=CC=C(C=C5)OC)OC(=O)C

InChI

InChI=1S/C36H37NO7/c1-5-42-32-21-26(13-16-31(32)44-23(3)38)34-33(36(40)43-18-17-24-9-7-6-8-10-24)22(2)37-29-19-27(20-30(39)35(29)34)25-11-14-28(41-4)15-12-25/h6-16,19,21,27,34-35,37H,5,17-18,20H2,1-4H3