2-phenoxyethyl (4S)-4-(4-methoxy-3-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: 2-phenoxyethyl (4S)-4-(4-methoxy-3-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-phenoxyethyl (4S)-4-(3-hydroxy-4-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (4S)-4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(3-hydroxy-4-methoxy-phenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-phenoxyethyl ester Formula: C28H31NO6 MolecularWeight: 477.54884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)O)C(=O)OCCOC4=CC=CC=C4

Isomeric SMILES

CC1=C([C@H](C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)O)C(=O)OCCOC4=CC=CC=C4

InChI

InChI=1S/C28H31NO6/c1-17-24(27(32)35-13-12-34-19-8-6-5-7-9-19)25(18-10-11-23(33-4)21(30)14-18)26-20(29-17)15-28(2,3)16-22(26)31/h5-11,14,25,29-30H,12-13,15-16H2,1-4H3/t25-/m1/s1