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

Systemtic Name: [1-[N'-[(4-hydroxyphenyl)methyl]carbamimidoyl]piperidin-4-yl] (2R)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [1-[N'-[(4-hydroxyphenyl)methyl]carbamimidoyl]-4-piperidyl] (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid [1-[amino-[(4-hydroxyphenyl)methylimino]methyl]-4-piperidinyl] ester IUPAC Name: [1-[N'-[(4-hydroxyphenyl)methyl]carbamimidoyl]piperidin-4-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [1-[N'-(4-hydroxybenzyl)amidino]-4-piperidyl] ester Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC3CCN(CC3)C(=NCC4=CC=C(C=C4)O)N)O

Isomeric SMILES

C1CCC(C1)[C@@](C2=CC=CC=C2)(C(=O)OC3CCN(CC3)C(=NCC4=CC=C(C=C4)O)N)O

InChI

InChI=1S/C26H33N3O4/c27-25(28-18-19-10-12-22(30)13-11-19)29-16-14-23(15-17-29)33-24(31)26(32,21-8-4-5-9-21)20-6-2-1-3-7-20/h1-3,6-7,10-13,21,23,30,32H,4-5,8-9,14-18H2,(H2,27,28)/t26-/m0/s1