[1-[N'-[(4-hydroxyphenyl)methyl]carbamimidoyl]pyrrolidin-3-yl] (2R)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [1-[N'-[(4-hydroxyphenyl)methyl]carbamimidoyl]pyrrolidin-3-yl] (2R)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [1-[N'-[(4-hydroxyphenyl)methyl]carbamimidoyl]pyrrolidin-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid [1-[amino-[(4-hydroxyphenyl)methylimino]methyl]-3-pyrrolidinyl] ester IUPAC Name: [1-[N'-[(4-hydroxyphenyl)methyl]carbamimidoyl]pyrrolidin-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [1-[N'-(4-hydroxybenzyl)amidino]pyrrolidin-3-yl] ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC3CCN(C3)C(=NCC4=CC=C(C=C4)O)N)O

Isomeric SMILES

C1CCC(C1)[C@@](C2=CC=CC=C2)(C(=O)OC3CCN(C3)C(=NCC4=CC=C(C=C4)O)N)O

InChI

InChI=1S/C25H31N3O4/c26-24(27-16-18-10-12-21(29)13-11-18)28-15-14-22(17-28)32-23(30)25(31,20-8-4-5-9-20)19-6-2-1-3-7-19/h1-3,6-7,10-13,20,22,29,31H,4-5,8-9,14-17H2,(H2,26,27)/t22?,25-/m0/s1