phenyl 4-[4-[2-(3-carbamimidoylphenoxy)ethylcarbamoyl]phenoxy]piperidine-1-carboxylate

Systemtic Name: phenyl 4-[4-[2-(3-carbamimidoylphenoxy)ethylcarbamoyl]phenoxy]piperidine-1-carboxylate Openeye Name: phenyl 4-[4-[2-(3-carbamimidoylphenoxy)ethylcarbamoyl]phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-[[2-(3-carbamimidoylphenoxy)ethylamino]-oxomethyl]phenoxy]-1-piperidinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-[4-[2-(3-carbamimidoylphenoxy)ethylcarbamoyl]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-[2-(3-amidinophenoxy)ethylcarbamoyl]phenoxy]piperidine-1-carboxylic acid phenyl ester Formula: C28H30N4O5 MolecularWeight: 502.5616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=C(C=C2)C(=O)NCCOC3=CC=CC(=C3)C(=N)N)C(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1OC2=CC=C(C=C2)C(=O)NCCOC3=CC=CC(=C3)C(=N)N)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C28H30N4O5/c29-26(30)21-5-4-8-25(19-21)35-18-15-31-27(33)20-9-11-23(12-10-20)36-24-13-16-32(17-14-24)28(34)37-22-6-2-1-3-7-22/h1-12,19,24H,13-18H2,(H3,29,30)(H,31,33)