2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-3-methyl-benzoate

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-3-methyl-benzoate Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-3-methyl-benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-3-methylbenzoate IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-3-methylbenzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-3-methyl-benzoate Formula: C22H18N3O3- MolecularWeight: 372.39662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)[O-]

InChI

InChI=1S/C22H19N3O3/c1-13-5-4-8-18(22(27)28)19(13)16-6-2-3-7-17(16)21(26)25-15-11-9-14(10-12-15)20(23)24/h2-12H,1H3,(H3,23,24)(H,25,26)(H,27,28)/p-1