methyl 4-[[(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)carbamoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)carbamoylamino]methyl]benzoate Openeye Name: methyl 4-[[(2-oxo-2-pyrrolidin-1-yl-ethyl)carbamoylamino]methyl]benzoate CAS Name: 4-[[[oxo-[[2-oxo-2-(1-pyrrolidinyl)ethyl]amino]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoylamino]methyl]benzoate Traditional Name: 4-[[(2-keto-2-pyrrolidino-ethyl)carbamoylamino]methyl]benzoic acid methyl ester Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)NCC(=O)N2CCCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)NCC(=O)N2CCCC2

InChI

InChI=1S/C16H21N3O4/c1-23-15(21)13-6-4-12(5-7-13)10-17-16(22)18-11-14(20)19-8-2-3-9-19/h4-7H,2-3,8-11H2,1H3,(H2,17,18,22)