cyclopentyl (4R)-2,7,7-trimethyl-5-oxidanylidene-4-(2-phenylmethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: cyclopentyl (4R)-2,7,7-trimethyl-5-oxidanylidene-4-(2-phenylmethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclopentyl (4R)-4-(2-benzyloxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-2,7,7-trimethyl-5-oxo-4-(2-phenylmethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl (4R)-2,7,7-trimethyl-5-oxo-4-(2-phenylmethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(2-benzoxyphenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester Formula: C31H35NO4 MolecularWeight: 485.6139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)OC5CCCC5

Isomeric SMILES

CC1=C([C@@H](C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)OC5CCCC5

InChI

InChI=1S/C31H35NO4/c1-20-27(30(34)36-22-13-7-8-14-22)28(29-24(32-20)17-31(2,3)18-25(29)33)23-15-9-10-16-26(23)35-19-21-11-5-4-6-12-21/h4-6,9-12,15-16,22,28,32H,7-8,13-14,17-19H2,1-3H3/t28-/m0/s1