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

Systemtic Name: cycloheptyl (4R)-2,7,7-trimethyl-4-(6-methyl-4-oxidanylidene-chromen-3-yl)-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cycloheptyl (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 cycloheptyl ester IUPAC Name: cycloheptyl (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 cycloheptyl ester Formula: C30H35NO5 MolecularWeight: 489.6026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)C3C4C(=NC(=C3C(=O)OC5CCCCCC5)C)CC(CC4=O)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)[C@H]3C4C(=NC(=C3C(=O)OC5CCCCCC5)C)CC(CC4=O)(C)C

InChI

InChI=1S/C30H35NO5/c1-17-11-12-24-20(13-17)28(33)21(16-35-24)26-25(29(34)36-19-9-7-5-6-8-10-19)18(2)31-22-14-30(3,4)15-23(32)27(22)26/h11-13,16,19,26-27H,5-10,14-15H2,1-4H3/t26-,27?/m1/s1