methyl (E)-3-[4-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]methyl]phenyl]acrylic acid methyl ester Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC=C(C=C1)CC2=C(NC3=C2C=CC(=C3)C(=N)N)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)/C=C/C1=CC=C(C=C1)CC2=C(NC3=C2C=CC(=C3)C(=N)N)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H25N5O2/c1-34-24(33)13-6-16-2-4-17(5-3-16)14-22-21-12-11-20(27(30)31)15-23(21)32-25(22)18-7-9-19(10-8-18)26(28)29/h2-13,15,32H,14H2,1H3,(H3,28,29)(H3,30,31)/b13-6+