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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methoxy-phenyl]-5-methyl-benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methoxy-phenyl]-5-methyl-benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-methoxyphenyl]-5-methylbenzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methoxyphenyl]-5-methylbenzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-methoxy-phenyl]-5-methyl-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)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O4/c1-13-3-9-18(20(11-13)23(28)29)17-10-8-16(30-2)12-19(17)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)