cyclopentyl (4S,4aS)-2-methyl-5-oxidanylidene-4-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: cyclopentyl (4S,4aS)-2-methyl-5-oxidanylidene-4-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: cyclopentyl (4S,4aS)-2-methyl-5-oxo-4-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,4aS)-2-methyl-5-oxo-4-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl (4S,4aS)-2-methyl-5-oxo-4-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,4aS)-5-keto-2-methyl-4-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cyclopentyl ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=N1)CCCC2=O)C3=CC=CC=C3)C(=O)OC4CCCC4

Isomeric SMILES

CC1=C([C@@H]([C@H]2C(=N1)CCCC2=O)C3=CC=CC=C3)C(=O)OC4CCCC4

InChI

InChI=1S/C22H25NO3/c1-14-19(22(25)26-16-10-5-6-11-16)20(15-8-3-2-4-9-15)21-17(23-14)12-7-13-18(21)24/h2-4,8-9,16,20-21H,5-7,10-13H2,1H3/t20-,21-/m0/s1