cyclohexyl (4R)-2,7,7-trimethyl-4-(6-methyl-4-oxidanylidene-chromen-3-yl)-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: cyclohexyl (4R)-2,7,7-trimethyl-4-(6-methyl-4-oxidanylidene-chromen-3-yl)-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclohexyl (4R)-2,7,7-trimethyl-4-(6-methyl-4-oxo-chromen-3-yl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-2,7,7-trimethyl-4-(6-methyl-4-oxo-1-benzopyran-3-yl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4R)-2,7,7-trimethyl-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-5-keto-4-(4-keto-6-methyl-chromen-3-yl)-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester Formula: C29H33NO5 MolecularWeight: 475.57602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)C3C4C(=NC(=C3C(=O)OC5CCCCC5)C)CC(CC4=O)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)[C@H]3C4C(=NC(=C3C(=O)OC5CCCCC5)C)CC(CC4=O)(C)C

InChI

InChI=1S/C29H33NO5/c1-16-10-11-23-19(12-16)27(32)20(15-34-23)25-24(28(33)35-18-8-6-5-7-9-18)17(2)30-21-13-29(3,4)14-22(31)26(21)25/h10-12,15,18,25-26H,5-9,13-14H2,1-4H3/t25-,26?/m1/s1