cyclohexyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-(2-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: cyclohexyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-(2-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclohexyl (4S)-4-(2-benzyloxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-(2-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4S)-2,7,7-trimethyl-5-oxo-4-(2-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(2-benzoxyphenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester Formula: C32H37NO4 MolecularWeight: 499.64048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC3CCCCC3)C4=CC=CC=C4OCC5=CC=CC=C5)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OC3CCCCC3)C4=CC=CC=C4OCC5=CC=CC=C5)C(=O)CC(C2)(C)C

InChI

InChI=1S/C32H37NO4/c1-21-28(31(35)37-23-14-8-5-9-15-23)29(30-25(33-21)18-32(2,3)19-26(30)34)24-16-10-11-17-27(24)36-20-22-12-6-4-7-13-22/h4,6-7,10-13,16-17,23,28-29H,5,8-9,14-15,18-20H2,1-3H3/t28?,29-/m1/s1