2-[(3Z)-5-(5-aminocarbonyl-2-methoxy-phenyl)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]butanedioic acid

Systemtic Name: 2-[(3Z)-5-(5-aminocarbonyl-2-methoxy-phenyl)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]butanedioic acid Openeye Name: 2-[(3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(5-carbamoyl-2-methoxy-phenyl)-4-oxo-cyclohexa-1,5-dien-1-yl]butanedioic acid CAS Name: 2-[(3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(5-carbamoyl-2-methoxyphenyl)-4-oxo-1-cyclohexa-1,5-dienyl]butanedioic acid IUPAC Name: 2-[(3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(5-carbamoyl-2-methoxyphenyl)-4-oxocyclohexa-1,5-dien-1-yl]butanedioic acid Traditional Name: 2-[(3Z)-3-(5-amidino-1,3-dihydrobenzimidazol-2-ylidene)-5-(5-carbamoyl-2-methoxy-phenyl)-4-keto-cyclohexa-1,5-dien-1-yl]succinic acid Formula: C26H23N5O7 MolecularWeight: 517.49012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N)C2=CC(=CC(=C3NC4=C(N3)C=C(C=C4)C(=N)N)C2=O)C(CC(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N)C2=CC(=C/C(=C/3\NC4=C(N3)C=C(C=C4)C(=N)N)/C2=O)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C26H23N5O7/c1-38-20-5-3-12(24(29)35)6-15(20)16-7-13(14(26(36)37)10-21(32)33)8-17(22(16)34)25-30-18-4-2-11(23(27)28)9-19(18)31-25/h2-9,14,30-31H,10H2,1H3,(H3,27,28)(H2,29,35)(H,32,33)(H,36,37)/b25-17-