2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methyl-phenyl]-6-(methoxymethyl)benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methyl-phenyl]-6-(methoxymethyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methyl-phenyl]-6-(methoxymethyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-methylphenyl]-6-(methoxymethyl)benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methylphenyl]-6-(methoxymethyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-methyl-phenyl]-6-(methoxymethyl)benzoic acid Formula: C24H23N3O4 MolecularWeight: 417.45712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O4/c1-14-6-11-18(19-5-3-4-16(13-31-2)21(19)24(29)30)20(12-14)23(28)27-17-9-7-15(8-10-17)22(25)26/h3-12H,13H2,1-2H3,(H3,25,26)(H,27,28)(H,29,30)