methyl (E)-4-[(3-carbamimidoylphenyl)-[2-(4-carbamimidoylphenyl)ethyl]amino]but-2-enoate

Systemtic Name: methyl (E)-4-[(3-carbamimidoylphenyl)-[2-(4-carbamimidoylphenyl)ethyl]amino]but-2-enoate Openeye Name: methyl (E)-4-[3-carbamimidoyl-N-[2-(4-carbamimidoylphenyl)ethyl]anilino]but-2-enoate CAS Name: (E)-4-[3-carbamimidoyl-N-[2-(4-carbamimidoylphenyl)ethyl]anilino]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[3-carbamimidoyl-N-[2-(4-carbamimidoylphenyl)ethyl]anilino]but-2-enoate Traditional Name: (E)-4-[3-amidino-N-[2-(4-amidinophenyl)ethyl]anilino]but-2-enoic acid methyl ester Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCN(CCC1=CC=C(C=C1)C(=N)N)C2=CC=CC(=C2)C(=N)N

Isomeric SMILES

COC(=O)/C=C/CN(CCC1=CC=C(C=C1)C(=N)N)C2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C21H25N5O2/c1-28-19(27)6-3-12-26(18-5-2-4-17(14-18)21(24)25)13-11-15-7-9-16(10-8-15)20(22)23/h2-10,14H,11-13H2,1H3,(H3,22,23)(H3,24,25)/b6-3+