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

Systemtic Name: methyl 4-[[2-[(2R)-5-oxidanylidene-1-(3-pyridin-4-ylpropyl)pyrrolidin-2-yl]ethylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[(2R)-5-oxo-1-[3-(4-pyridyl)propyl]pyrrolidin-2-yl]ethylamino]methyl]benzoate CAS Name: 4-[[2-[(2R)-5-oxo-1-(3-pyridin-4-ylpropyl)-2-pyrrolidinyl]ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2R)-5-oxo-1-(3-pyridin-4-ylpropyl)pyrrolidin-2-yl]ethylamino]methyl]benzoate Traditional Name: 4-[[2-[(2R)-5-keto-1-[3-(4-pyridyl)propyl]pyrrolidin-2-yl]ethylamino]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)CNCCC2CCC(=O)N2CCCC3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNCC[C@H]2CCC(=O)N2CCCC3=CC=NC=C3

InChI

InChI=1S/C23H29N3O3/c1-29-23(28)20-6-4-19(5-7-20)17-25-15-12-21-8-9-22(27)26(21)16-2-3-18-10-13-24-14-11-18/h4-7,10-11,13-14,21,25H,2-3,8-9,12,15-17H2,1H3/t21-/m1/s1