methyl 4-[[2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-yl-ethyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-yl-ethyl]carbamoyl]benzoate Openeye Name: methyl 4-[[2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-yl-ethyl]carbamoyl]benzoate CAS Name: 4-[[[2-(1-methyl-2-pyrrolyl)-2-(1-pyrrolidinyl)ethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate Traditional Name: 4-[[2-(1-methylpyrrol-2-yl)-2-pyrrolidino-ethyl]carbamoyl]benzoic acid methyl ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)C2=CC=C(C=C2)C(=O)OC)N3CCCC3

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)C2=CC=C(C=C2)C(=O)OC)N3CCCC3

InChI

InChI=1S/C20H25N3O3/c1-22-11-5-6-17(22)18(23-12-3-4-13-23)14-21-19(24)15-7-9-16(10-8-15)20(25)26-2/h5-11,18H,3-4,12-14H2,1-2H3,(H,21,24)