2-[2-[1-(4-carbamimidoylphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]-5-methoxy-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-[1-(4-carbamimidoylphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]-5-methoxy-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[1-(4-carbamimidoylphenyl)-2-hydroxy-2-oxo-ethyl]-5-methoxy-phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[1-(4-carbamimidoylphenyl)-2-hydroxy-2-oxoethyl]-5-methoxyphenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[1-(4-carbamimidoylphenyl)-2-hydroxy-2-oxoethyl]-5-methoxyphenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[1-(4-amidinophenyl)-2-hydroxy-2-keto-ethyl]-5-methoxy-phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C28H29N3O6 MolecularWeight: 503.54636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(C=CC(=C2)OC)C(C3=CC=C(C=C3)C(=N)N)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(C=CC(=C2)OC)C(C3=CC=C(C=C3)C(=N)N)C(=O)O)C(=O)O

InChI

InChI=1S/C28H29N3O6/c1-15(2)14-31-26(32)18-8-10-20(23(12-18)27(33)34)22-13-19(37-3)9-11-21(22)24(28(35)36)16-4-6-17(7-5-16)25(29)30/h4-13,15,24H,14H2,1-3H3,(H3,29,30)(H,31,32)(H,33,34)(H,35,36)