(2-oxidanylidene-4-propyl-chromen-7-yl) 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (2-oxidanylidene-4-propyl-chromen-7-yl) 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (2-oxo-4-propyl-chromen-7-yl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-propylchromen-7-yl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid (2-keto-4-propyl-chromen-7-yl) ester Formula: C25H24ClNO5 MolecularWeight: 453.91476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H24ClNO5/c1-2-3-18-14-23(28)32-22-15-20(8-9-21(18)22)31-25(30)17-10-12-27(13-11-17)24(29)16-4-6-19(26)7-5-16/h4-9,14-15,17H,2-3,10-13H2,1H3