2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-[(2-methoxy-2-oxidanylidene-ethyl)carbamoyl]phenyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-[(2-methoxy-2-oxidanylidene-ethyl)carbamoyl]phenyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-[(2-methoxy-2-oxo-ethyl)carbamoyl]phenyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-[[(2-methoxy-2-oxoethyl)amino]-oxomethyl]phenyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-[(2-keto-2-methoxy-ethyl)carbamoyl]phenyl]benzoic acid Formula: C25H22N4O6 MolecularWeight: 474.46538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4O6/c1-35-21(30)13-28-23(31)15-8-11-18(17-4-2-3-5-19(17)25(33)34)20(12-15)24(32)29-16-9-6-14(7-10-16)22(26)27/h2-12H,13H2,1H3,(H3,26,27)(H,28,31)(H,29,32)(H,33,34)