(4-methyl-2-oxidanylidene-chromen-7-yl) (3S)-1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) (3S)-1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) (3S)-1-(4-fluorobenzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) (3S)-1-(4-fluorobenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-fluorobenzoyl)nipecotic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C23H20FNO5 MolecularWeight: 409.407003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)[C@H]3CCCN(C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H20FNO5/c1-14-11-21(26)30-20-12-18(8-9-19(14)20)29-23(28)16-3-2-10-25(13-16)22(27)15-4-6-17(24)7-5-15/h4-9,11-12,16H,2-3,10,13H2,1H3/t16-/m0/s1