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

Systemtic Name: [1-[N'-(3-phenylpropyl)carbamimidoyl]pyrrolidin-3-yl] (2R)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [1-[N'-(3-phenylpropyl)carbamimidoyl]pyrrolidin-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid [1-[amino(3-phenylpropylimino)methyl]-3-pyrrolidinyl] ester IUPAC Name: [1-[N'-(3-phenylpropyl)carbamimidoyl]pyrrolidin-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [1-[N'-(3-phenylpropyl)amidino]pyrrolidin-3-yl] ester Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC3CCN(C3)C(=NCCCC4=CC=CC=C4)N)O

Isomeric SMILES

C1CCC(C1)[C@@](C2=CC=CC=C2)(C(=O)OC3CCN(C3)C(=NCCCC4=CC=CC=C4)N)O

InChI

InChI=1S/C27H35N3O3/c28-26(29-18-9-12-21-10-3-1-4-11-21)30-19-17-24(20-30)33-25(31)27(32,23-15-7-8-16-23)22-13-5-2-6-14-22/h1-6,10-11,13-14,23-24,32H,7-9,12,15-20H2,(H2,28,29)/t24?,27-/m0/s1