cycloheptyl (4S)-2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: cycloheptyl (4S)-2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cycloheptyl (4S)-2,7,7-trimethyl-4-(5-methyl-2-furyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-4-(5-methyl-2-furanyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl (4S)-2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(5-methyl-2-furyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cycloheptyl ester Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2C3C(=NC(=C2C(=O)OC4CCCCCC4)C)CC(CC3=O)(C)C

Isomeric SMILES

CC1=CC=C(O1)[C@H]2C3C(=NC(=C2C(=O)OC4CCCCCC4)C)CC(CC3=O)(C)C

InChI

InChI=1S/C25H33NO4/c1-15-11-12-20(29-15)23-21(24(28)30-17-9-7-5-6-8-10-17)16(2)26-18-13-25(3,4)14-19(27)22(18)23/h11-12,17,22-23H,5-10,13-14H2,1-4H3/t22?,23-/m1/s1