(4-carbamimidoylphenyl) 4-[(E)-4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]but-2-en-2-yl]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[(E)-4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]but-2-en-2-yl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(E)-3-(4-benzylpiperazin-1-yl)-1-methyl-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-4-oxo-4-[4-(phenylmethyl)-1-piperazinyl]but-2-en-2-yl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(E)-4-(4-benzylpiperazin-1-yl)-4-oxobut-2-en-2-yl]benzoate Traditional Name: 4-[(E)-3-(4-benzylpiperazino)-3-keto-1-methyl-prop-1-enyl]benzoic acid (4-amidinophenyl) ester Formula: C29H30N4O3 MolecularWeight: 482.5735

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCN(CC1)CC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C/C(=C\C(=O)N1CCN(CC1)CC2=CC=CC=C2)/C3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C29H30N4O3/c1-21(19-27(34)33-17-15-32(16-18-33)20-22-5-3-2-4-6-22)23-7-9-25(10-8-23)29(35)36-26-13-11-24(12-14-26)28(30)31/h2-14,19H,15-18,20H2,1H3,(H3,30,31)/b21-19+