methyl 4-[3-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[3-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[3-[3-[methyl-[2-(2-pyridyl)ethyl]amino]-3-oxo-propyl]-1-piperidyl]-4-oxo-butanoate CAS Name: 4-[3-[3-[methyl-[2-(2-pyridinyl)ethyl]amino]-3-oxopropyl]-1-piperidinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[3-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[3-[3-keto-3-[methyl-[2-(2-pyridyl)ethyl]amino]propyl]piperidino]butyric acid methyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C(=O)CCC2CCCN(C2)C(=O)CCC(=O)OC

Isomeric SMILES

CN(CCC1=CC=CC=N1)C(=O)CCC2CCCN(C2)C(=O)CCC(=O)OC

InChI

InChI=1S/C21H31N3O4/c1-23(15-12-18-7-3-4-13-22-18)19(25)9-8-17-6-5-14-24(16-17)20(26)10-11-21(27)28-2/h3-4,7,13,17H,5-6,8-12,14-16H2,1-2H3