(4-carbamimidoylphenyl) 4-[(E)-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]prop-1-enyl]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[(E)-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]prop-1-enyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(E)-3-(4-benzylpiperazin-1-yl)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]prop-1-enyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(E)-3-(4-benzylpiperazin-1-yl)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(4-benzylpiperazino)-3-keto-prop-1-enyl]benzoic acid (4-amidinophenyl) ester Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H28N4O3/c29-27(30)23-11-13-25(14-12-23)35-28(34)24-9-6-21(7-10-24)8-15-26(33)32-18-16-31(17-19-32)20-22-4-2-1-3-5-22/h1-15H,16-20H2,(H3,29,30)/b15-8+