ethyl 5-[[3-(3-carbamimidoylphenyl)phenyl]methylamino]-2-piperidin-4-yloxy-benzoate

Systemtic Name: ethyl 5-[[3-(3-carbamimidoylphenyl)phenyl]methylamino]-2-piperidin-4-yloxy-benzoate Openeye Name: ethyl 5-[[3-(3-carbamimidoylphenyl)phenyl]methylamino]-2-(4-piperidyloxy)benzoate CAS Name: 5-[[3-(3-carbamimidoylphenyl)phenyl]methylamino]-2-(4-piperidinyloxy)benzoic acid ethyl ester IUPAC Name: ethyl 5-[[3-(3-carbamimidoylphenyl)phenyl]methylamino]-2-piperidin-4-yloxybenzoate Traditional Name: 5-[[3-(3-amidinophenyl)benzyl]amino]-2-(4-piperidyloxy)benzoic acid ethyl ester Formula: C28H32N4O3 MolecularWeight: 472.57868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NCC2=CC=CC(=C2)C3=CC(=CC=C3)C(=N)N)OC4CCNCC4

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NCC2=CC=CC(=C2)C3=CC(=CC=C3)C(=N)N)OC4CCNCC4

InChI

InChI=1S/C28H32N4O3/c1-2-34-28(33)25-17-23(9-10-26(25)35-24-11-13-31-14-12-24)32-18-19-5-3-6-20(15-19)21-7-4-8-22(16-21)27(29)30/h3-10,15-17,24,31-32H,2,11-14,18H2,1H3,(H3,29,30)