methyl 2-[4-[3-oxidanylidene-3-(pyridin-3-ylmethylamino)propyl]piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 2-[4-[3-oxidanylidene-3-(pyridin-3-ylmethylamino)propyl]piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 2-[4-[3-oxo-3-(3-pyridylmethylamino)propyl]piperidine-1-carbonyl]benzoate CAS Name: 2-[oxo-[4-[3-oxo-3-(3-pyridinylmethylamino)propyl]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]piperidine-1-carbonyl]benzoate Traditional Name: 2-[4-[3-keto-3-(3-pyridylmethylamino)propyl]piperidine-1-carbonyl]benzoic acid methyl ester Formula: C23H27N3O4 MolecularWeight: 409.47818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)N2CCC(CC2)CCC(=O)NCC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)N2CCC(CC2)CCC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C23H27N3O4/c1-30-23(29)20-7-3-2-6-19(20)22(28)26-13-10-17(11-14-26)8-9-21(27)25-16-18-5-4-12-24-15-18/h2-7,12,15,17H,8-11,13-14,16H2,1H3,(H,25,27)