2-[2-(4-carbamimidoylphenoxy)carbonyl-6-methoxy-pyridin-3-yl]-5-[(3,3-dimethyl-1-oxidanyl-butan-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[2-(4-carbamimidoylphenoxy)carbonyl-6-methoxy-pyridin-3-yl]-5-[(3,3-dimethyl-1-oxidanyl-butan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[2-(4-carbamimidoylphenoxy)carbonyl-6-methoxy-3-pyridyl]-5-[[1-(hydroxymethyl)-2,2-dimethyl-propyl]carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylphenoxy)-oxomethyl]-6-methoxy-3-pyridinyl]-5-[[(1-hydroxy-3,3-dimethylbutan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-(4-carbamimidoylphenoxy)carbonyl-6-methoxypyridin-3-yl]-5-[(1-hydroxy-3,3-dimethylbutan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[2-(4-amidinophenoxy)carbonyl-6-methoxy-3-pyridyl]-5-[(2,2-dimethyl-1-methylol-propyl)carbamoyl]benzoic acid Formula: C28H30N4O7 MolecularWeight: 534.5604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CO)NC(=O)C1=CC(=C(C=C1)C2=C(N=C(C=C2)OC)C(=O)OC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)(C)C(CO)NC(=O)C1=CC(=C(C=C1)C2=C(N=C(C=C2)OC)C(=O)OC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C28H30N4O7/c1-28(2,3)21(14-33)31-25(34)16-7-10-18(20(13-16)26(35)36)19-11-12-22(38-4)32-23(19)27(37)39-17-8-5-15(6-9-17)24(29)30/h5-13,21,33H,14H2,1-4H3,(H3,29,30)(H,31,34)(H,35,36)