cyclohexyl (3S,4S)-2-methyl-4-(5-methylfuran-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: cyclohexyl (3S,4S)-2-methyl-4-(5-methylfuran-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: cyclohexyl (3S,4S)-2-methyl-4-(5-methyl-2-furyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (3S,4S)-2-methyl-4-(5-methyl-2-furanyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (3S,4S)-2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (3S,4S)-5-keto-2-methyl-4-(5-methyl-2-furyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid cyclohexyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2C(C(=NC3=C2C(=O)CCC3)C)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=CC=C(O1)[C@H]2[C@@H](C(=NC3=C2C(=O)CCC3)C)C(=O)OC4CCCCC4

InChI

InChI=1S/C22H27NO4/c1-13-11-12-18(26-13)21-19(22(25)27-15-7-4-3-5-8-15)14(2)23-16-9-6-10-17(24)20(16)21/h11-12,15,19,21H,3-10H2,1-2H3/t19-,21+/m1/s1