2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(3-methoxy-3-oxidanylidene-propyl)carbamoyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(3-methoxy-3-oxidanylidene-propyl)carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(3-methoxy-3-oxo-propyl)carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[[(3-methoxy-3-oxopropyl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(3-methoxy-3-oxopropyl)carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-[(3-keto-3-methoxy-propyl)carbamoyl]benzoic acid Formula: C26H24N4O6 MolecularWeight: 488.49196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C26H24N4O6/c1-36-22(31)12-13-29-24(32)16-8-11-19(21(14-16)26(34)35)18-4-2-3-5-20(18)25(33)30-17-9-6-15(7-10-17)23(27)28/h2-11,14H,12-13H2,1H3,(H3,27,28)(H,29,32)(H,30,33)(H,34,35)