[1-(phenylmethyl)piperidin-4-yl] 6-[4-(4-carbamimidoylphenyl)phenoxy]hexanoate

Systemtic Name: [1-(phenylmethyl)piperidin-4-yl] 6-[4-(4-carbamimidoylphenyl)phenoxy]hexanoate Openeye Name: (1-benzyl-4-piperidyl) 6-[4-(4-carbamimidoylphenyl)phenoxy]hexanoate CAS Name: 6-[4-(4-carbamimidoylphenyl)phenoxy]hexanoic acid [1-(phenylmethyl)-4-piperidinyl] ester IUPAC Name: (1-benzylpiperidin-4-yl) 6-[4-(4-carbamimidoylphenyl)phenoxy]hexanoate Traditional Name: 6-[4-(4-amidinophenyl)phenoxy]hexanoic acid (1-benzyl-4-piperidyl) ester Formula: C31H37N3O3 MolecularWeight: 499.64378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(=O)CCCCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1OC(=O)CCCCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)CC4=CC=CC=C4

InChI

InChI=1S/C31H37N3O3/c32-31(33)27-12-10-25(11-13-27)26-14-16-28(17-15-26)36-22-6-2-5-9-30(35)37-29-18-20-34(21-19-29)23-24-7-3-1-4-8-24/h1,3-4,7-8,10-17,29H,2,5-6,9,18-23H2,(H3,32,33)