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

Systemtic Name: [1-[N'-[(3-hydroxyphenyl)methyl]carbamimidoyl]piperidin-4-yl] (2R)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [1-[N'-[(3-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-[(3-hydroxyphenyl)methylimino]methyl]-4-piperidinyl] ester IUPAC Name: [1-[N'-[(3-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'-(3-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(=CC=C4)O)N)O

Isomeric SMILES

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

InChI

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