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

Systemtic Name: butyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-(2-phenylmethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: butyl (4S)-4-(2-benzyloxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-(2-phenylmethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester IUPAC Name: butyl (4S)-2,7,7-trimethyl-5-oxo-4-(2-phenylmethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(2-benzoxyphenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester Formula: C30H35NO4 MolecularWeight: 473.6032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C30H35NO4/c1-5-6-16-34-29(33)26-20(2)31-23-17-30(3,4)18-24(32)28(23)27(26)22-14-10-11-15-25(22)35-19-21-12-8-7-9-13-21/h7-15,27,31H,5-6,16-19H2,1-4H3/t27-/m1/s1