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

Systemtic Name: [1-(N'-phenethylcarbamimidoyl)pyrrolidin-3-yl] (2R)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [1-(N'-phenethylcarbamimidoyl)pyrrolidin-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid [1-[amino(phenethylimino)methyl]-3-pyrrolidinyl] ester IUPAC Name: [1-(N'-phenethylcarbamimidoyl)pyrrolidin-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [1-(N'-phenethylamidino)pyrrolidin-3-yl] ester Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC3CCN(C3)C(=NCCC4=CC=CC=C4)N)O

Isomeric SMILES

C1CCC(C1)[C@@](C2=CC=CC=C2)(C(=O)OC3CCN(C3)C(=NCCC4=CC=CC=C4)N)O

InChI

InChI=1S/C26H33N3O3/c27-25(28-17-15-20-9-3-1-4-10-20)29-18-16-23(19-29)32-24(30)26(31,22-13-7-8-14-22)21-11-5-2-6-12-21/h1-6,9-12,22-23,31H,7-8,13-19H2,(H2,27,28)/t23?,26-/m0/s1