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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-(2,2-diethylbutoxycarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-(2,2-diethylbutoxycarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl]-5-[(2,2-diethylbutoxyamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl]-5-(2,2-diethylbutoxycarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-(2,2-diethylbutoxycarbamoyl)benzoic acid Formula: C30H35N5O6 MolecularWeight: 561.6288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC)CONC(=O)C1=CC(=C(C=C1)C2=C(N=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CCC(CC)(CC)CONC(=O)C1=CC(=C(C=C1)C2=C(N=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C30H35N5O6/c1-5-30(6-2,7-3)17-41-35-27(36)19-10-13-21(23(16-19)29(38)39)22-14-15-24(40-4)34-25(22)28(37)33-20-11-8-18(9-12-20)26(31)32/h8-16H,5-7,17H2,1-4H3,(H3,31,32)(H,33,37)(H,35,36)(H,38,39)