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

Systemtic Name: [1-[N'-[(4-methoxyphenyl)methyl]carbamimidoyl]piperidin-4-yl] (2R)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [1-[N'-[(4-methoxyphenyl)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-methoxyphenyl)methylimino]methyl]-4-piperidinyl] ester IUPAC Name: [1-[N'-[(4-methoxyphenyl)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'-p-anisylamidino)-4-piperidyl] ester Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN=C(N)N2CCC(CC2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=C(C=C1)CN=C(N)N2CCC(CC2)OC(=O)[C@@](C3CCCC3)(C4=CC=CC=C4)O

InChI

InChI=1S/C27H35N3O4/c1-33-23-13-11-20(12-14-23)19-29-26(28)30-17-15-24(16-18-30)34-25(31)27(32,22-9-5-6-10-22)21-7-3-2-4-8-21/h2-4,7-8,11-14,22,24,32H,5-6,9-10,15-19H2,1H3,(H2,28,29)/t27-/m0/s1