cyclohexyl (4S)-4-(4-ethoxy-3-methoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: cyclohexyl (4S)-4-(4-ethoxy-3-methoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclohexyl (4S)-4-(4-ethoxy-3-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4S)-4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(4-ethoxy-3-methoxy-phenyl)-5-keto-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester Formula: C28H37NO5 MolecularWeight: 467.59708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C3C(=NC(=C2C(=O)OC4CCCCC4)C)CC(CC3=O)(C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@@H]2C3C(=NC(=C2C(=O)OC4CCCCC4)C)CC(CC3=O)(C)C)OC

InChI

InChI=1S/C28H37NO5/c1-6-33-22-13-12-18(14-23(22)32-5)25-24(27(31)34-19-10-8-7-9-11-19)17(2)29-20-15-28(3,4)16-21(30)26(20)25/h12-14,19,25-26H,6-11,15-16H2,1-5H3/t25-,26?/m0/s1