methyl 4-[[2-[5-oxidanylidene-1-(2-piperidin-1-yl-2-pyridin-3-yl-ethyl)pyrrolidin-2-yl]ethylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[5-oxidanylidene-1-(2-piperidin-1-yl-2-pyridin-3-yl-ethyl)pyrrolidin-2-yl]ethylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[5-oxo-1-[2-(1-piperidyl)-2-(3-pyridyl)ethyl]pyrrolidin-2-yl]ethylamino]methyl]benzoate CAS Name: 4-[[2-[5-oxo-1-[2-(1-piperidinyl)-2-(3-pyridinyl)ethyl]-2-pyrrolidinyl]ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[5-oxo-1-(2-piperidin-1-yl-2-pyridin-3-ylethyl)pyrrolidin-2-yl]ethylamino]methyl]benzoate Traditional Name: 4-[[2-[5-keto-1-[2-piperidino-2-(3-pyridyl)ethyl]pyrrolidin-2-yl]ethylamino]methyl]benzoic acid methyl ester Formula: C27H36N4O3 MolecularWeight: 464.59974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNCCC2CCC(=O)N2CC(C3=CN=CC=C3)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNCCC2CCC(=O)N2CC(C3=CN=CC=C3)N4CCCCC4

InChI

InChI=1S/C27H36N4O3/c1-34-27(33)22-9-7-21(8-10-22)18-29-15-13-24-11-12-26(32)31(24)20-25(23-6-5-14-28-19-23)30-16-3-2-4-17-30/h5-10,14,19,24-25,29H,2-4,11-13,15-18,20H2,1H3