propyl 3-[1-methyl-4-oxidanylidene-5-(3-phenylpropyl)pyridin-3-yl]benzoate

Systemtic Name: propyl 3-[1-methyl-4-oxidanylidene-5-(3-phenylpropyl)pyridin-3-yl]benzoate Openeye Name: propyl 3-[1-methyl-4-oxo-5-(3-phenylpropyl)-3-pyridyl]benzoate CAS Name: 3-[1-methyl-4-oxo-5-(3-phenylpropyl)-3-pyridinyl]benzoic acid propyl ester IUPAC Name: propyl 3-[1-methyl-4-oxo-5-(3-phenylpropyl)pyridin-3-yl]benzoate Traditional Name: 3-[4-keto-1-methyl-5-(3-phenylpropyl)-3-pyridyl]benzoic acid propyl ester Formula: C25H27NO3 MolecularWeight: 389.48678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=CC(=C1)C2=CN(C=C(C2=O)CCCC3=CC=CC=C3)C

Isomeric SMILES

CCCOC(=O)C1=CC=CC(=C1)C2=CN(C=C(C2=O)CCCC3=CC=CC=C3)C

InChI

InChI=1S/C25H27NO3/c1-3-15-29-25(28)21-13-8-12-20(16-21)23-18-26(2)17-22(24(23)27)14-7-11-19-9-5-4-6-10-19/h4-6,8-10,12-13,16-18H,3,7,11,14-15H2,1-2H3