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

Systemtic Name: ethyl (4S)-4-(3-methoxy-4-propan-2-yloxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl (4S)-4-(4-isopropoxy-3-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(3-methoxy-4-propan-2-yloxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(3-methoxy-4-propan-2-yloxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(4-isopropoxy-3-methoxy-phenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C25H33NO5 MolecularWeight: 427.53322

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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)OC(C)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO5/c1-8-30-24(28)21-15(4)26-17-12-25(5,6)13-18(27)23(17)22(21)16-9-10-19(31-14(2)3)20(11-16)29-7/h9-11,14,21-22H,8,12-13H2,1-7H3/t21?,22-/m1/s1