[2-[(2-pyridin-3-yl-2-pyrrolidin-1-yl-ethyl)carbamoyl]phenyl]methyl benzoate

Systemtic Name: [2-[(2-pyridin-3-yl-2-pyrrolidin-1-yl-ethyl)carbamoyl]phenyl]methyl benzoate Openeye Name: [2-[[2-(3-pyridyl)-2-pyrrolidin-1-yl-ethyl]carbamoyl]phenyl]methyl benzoate CAS Name: benzoic acid [2-[oxo-[[2-(3-pyridinyl)-2-(1-pyrrolidinyl)ethyl]amino]methyl]phenyl]methyl ester IUPAC Name: [2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)carbamoyl]phenyl]methyl benzoate Traditional Name: benzoic acid [2-[[2-(3-pyridyl)-2-pyrrolidino-ethyl]carbamoyl]benzyl] ester Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2=CC=CC=C2COC(=O)C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2=CC=CC=C2COC(=O)C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C26H27N3O3/c30-25(28-18-24(29-15-6-7-16-29)21-12-8-14-27-17-21)23-13-5-4-11-22(23)19-32-26(31)20-9-2-1-3-10-20/h1-5,8-14,17,24H,6-7,15-16,18-19H2,(H,28,30)