cyclohexyl (4R,7R)-4-(2-butoxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: cyclohexyl (4R,7R)-4-(2-butoxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: cyclohexyl (4R,7R)-4-(2-butoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R,7R)-4-(2-butoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4R,7R)-4-(2-butoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R,7R)-4-(2-butoxyphenyl)-5-keto-2-methyl-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cyclohexyl ester Formula: C33H39NO4 MolecularWeight: 513.66706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2C3C(=NC(=C2C(=O)OC4CCCCC4)C)CC(CC3=O)C5=CC=CC=C5

Isomeric SMILES

CCCCOC1=CC=CC=C1[C@H]2C3C(=NC(=C2C(=O)OC4CCCCC4)C)C[C@H](CC3=O)C5=CC=CC=C5

InChI

InChI=1S/C33H39NO4/c1-3-4-19-37-29-18-12-11-17-26(29)31-30(33(36)38-25-15-9-6-10-16-25)22(2)34-27-20-24(21-28(35)32(27)31)23-13-7-5-8-14-23/h5,7-8,11-14,17-18,24-25,31-32H,3-4,6,9-10,15-16,19-21H2,1-2H3/t24-,31-,32?/m1/s1