2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-(2,2-dimethylpropylcarbamoyl)-4-methyl-benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-(2,2-dimethylpropylcarbamoyl)-4-methyl-benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-(2,2-dimethylpropylcarbamoyl)-4-methyl-benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl]-5-[(2,2-dimethylpropylamino)-oxomethyl]-4-methylbenzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl]-5-(2,2-dimethylpropylcarbamoyl)-4-methylbenzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl]-4-methyl-5-(neopentylcarbamoyl)benzoic acid Formula: C28H31N5O5 MolecularWeight: 517.57624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2=C(N=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O)C(=O)NCC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C(=C1)C2=C(N=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O)C(=O)NCC(C)(C)C

InChI

InChI=1S/C28H31N5O5/c1-15-12-20(21(27(36)37)13-19(15)25(34)31-14-28(2,3)4)18-10-11-22(38-5)33-23(18)26(35)32-17-8-6-16(7-9-17)24(29)30/h6-13H,14H2,1-5H3,(H3,29,30)(H,31,34)(H,32,35)(H,36,37)