(4-carbamimidoylphenyl) 4-[(4-phenylpiperidin-1-yl)methyl]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[(4-phenylpiperidin-1-yl)methyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(4-phenyl-1-piperidyl)methyl]benzoate CAS Name: 4-[(4-phenyl-1-piperidinyl)methyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(4-phenylpiperidin-1-yl)methyl]benzoate Traditional Name: 4-[(4-phenylpiperidino)methyl]benzoic acid (4-amidinophenyl) ester Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H27N3O2/c27-25(28)22-10-12-24(13-11-22)31-26(30)23-8-6-19(7-9-23)18-29-16-14-21(15-17-29)20-4-2-1-3-5-20/h1-13,21H,14-18H2,(H3,27,28)