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

Systemtic Name: methyl 4-[[4-[3-oxidanylidene-3-(pyridin-3-ylmethylamino)propyl]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[3-oxo-3-(3-pyridylmethylamino)propyl]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[3-oxo-3-(3-pyridinylmethylamino)propyl]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[3-keto-3-(3-pyridylmethylamino)propyl]piperidino]methyl]benzoic acid methyl ester Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)CCC(=O)NCC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)CCC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-29-23(28)21-7-4-19(5-8-21)17-26-13-10-18(11-14-26)6-9-22(27)25-16-20-3-2-12-24-15-20/h2-5,7-8,12,15,18H,6,9-11,13-14,16-17H2,1H3,(H,25,27)