2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methyl-phenyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methyl-phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methyl-phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-methylphenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methylphenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-methyl-phenyl]-5-methoxy-benzoic acid Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O4/c1-13-3-9-17(18-10-8-16(30-2)12-20(18)23(28)29)19(11-13)22(27)26-15-6-4-14(5-7-15)21(24)25/h3-12H,1-2H3,(H3,24,25)(H,26,27)(H,28,29)