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

Systemtic Name: methyl 4-[[2-[(2R)-5-oxidanylidene-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]ethylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[(2R)-5-oxo-1-(3-pyridylmethyl)pyrrolidin-2-yl]ethylamino]methyl]benzoate CAS Name: 4-[[2-[(2R)-5-oxo-1-(3-pyridinylmethyl)-2-pyrrolidinyl]ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]ethylamino]methyl]benzoate Traditional Name: 4-[[2-[(2R)-5-keto-1-(3-pyridylmethyl)pyrrolidin-2-yl]ethylamino]methyl]benzoic acid methyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNCCC2CCC(=O)N2CC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNCC[C@H]2CCC(=O)N2CC3=CN=CC=C3

InChI

InChI=1S/C21H25N3O3/c1-27-21(26)18-6-4-16(5-7-18)13-23-12-10-19-8-9-20(25)24(19)15-17-3-2-11-22-14-17/h2-7,11,14,19,23H,8-10,12-13,15H2,1H3/t19-/m1/s1