ethyl (4S)-4-(3-methoxy-4-phenylmethoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl (4S)-4-(3-methoxy-4-phenylmethoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl (4S)-4-(4-benzyloxy-3-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(3-methoxy-4-phenylmethoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(3-methoxy-4-phenylmethoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(4-benzoxy-3-methoxy-phenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C29H33NO5 MolecularWeight: 475.57602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

CCOC(=O)C1[C@H](C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C29H33NO5/c1-6-34-28(32)25-18(2)30-21-15-29(3,4)16-22(31)27(21)26(25)20-12-13-23(24(14-20)33-5)35-17-19-10-8-7-9-11-19/h7-14,25-26H,6,15-17H2,1-5H3/t25?,26-/m1/s1