[1-[N'-(pyridin-2-ylmethyl)carbamimidoyl]pyrrolidin-3-yl] (2R)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [1-[N'-(pyridin-2-ylmethyl)carbamimidoyl]pyrrolidin-3-yl] (2R)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [1-[N'-(2-pyridylmethyl)carbamimidoyl]pyrrolidin-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid [1-[amino(2-pyridinylmethylimino)methyl]-3-pyrrolidinyl] ester IUPAC Name: [1-[N'-(pyridin-2-ylmethyl)carbamimidoyl]pyrrolidin-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [1-[N'-(2-pyridylmethyl)amidino]pyrrolidin-3-yl] ester Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC3CCN(C3)C(=NCC4=CC=CC=N4)N)O

Isomeric SMILES

C1CCC(C1)[C@@](C2=CC=CC=C2)(C(=O)OC3CCN(C3)C(=NCC4=CC=CC=N4)N)O

InChI

InChI=1S/C24H30N4O3/c25-23(27-16-20-12-6-7-14-26-20)28-15-13-21(17-28)31-22(29)24(30,19-10-4-5-11-19)18-8-2-1-3-9-18/h1-3,6-9,12,14,19,21,30H,4-5,10-11,13,15-17H2,(H2,25,27)/t21?,24-/m0/s1