2-[2-(3-carbamimidoylphenoxy)-4-methyl-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-(3-carbamimidoylphenoxy)-4-methyl-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-(3-carbamimidoylphenoxy)-4-methyl-phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-(3-carbamimidoylphenoxy)-4-methylphenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-(3-carbamimidoylphenoxy)-4-methylphenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-(3-amidinophenoxy)-4-methyl-phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCC(C)C)C(=O)O)OC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCC(C)C)C(=O)O)OC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C26H27N3O4/c1-15(2)14-29-25(30)18-8-10-20(22(13-18)26(31)32)21-9-7-16(3)11-23(21)33-19-6-4-5-17(12-19)24(27)28/h4-13,15H,14H2,1-3H3,(H3,27,28)(H,29,30)(H,31,32)