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

Systemtic Name: (phenylmethyl) (4R,7R)-4-(4-ethylphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: benzyl (4R,7R)-4-(4-ethylphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R,7R)-4-(4-ethylphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4R,7R)-4-(4-ethylphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R,7R)-4-(4-ethylphenyl)-5-keto-2-methyl-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid benzyl ester Formula: C32H31NO3 MolecularWeight: 477.59344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C3C(=NC(=C2C(=O)OCC4=CC=CC=C4)C)CC(CC3=O)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H]2C3C(=NC(=C2C(=O)OCC4=CC=CC=C4)C)C[C@H](CC3=O)C5=CC=CC=C5

InChI

InChI=1S/C32H31NO3/c1-3-22-14-16-25(17-15-22)30-29(32(35)36-20-23-10-6-4-7-11-23)21(2)33-27-18-26(19-28(34)31(27)30)24-12-8-5-9-13-24/h4-17,26,30-31H,3,18-20H2,1-2H3/t26-,30-,31?/m1/s1