5-(butan-2-ylcarbamoyl)-2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate

Systemtic Name: 5-(butan-2-ylcarbamoyl)-2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(sec-butylcarbamoyl)benzoate CAS Name: 5-[(butan-2-ylamino)-oxomethyl]-2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]benzoate IUPAC Name: 5-(butan-2-ylcarbamoyl)-2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(sec-butylcarbamoyl)benzoate Formula: C26H25N4O4- MolecularWeight: 457.5011

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)[O-]

Isomeric SMILES

CCC(C)NC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)[O-]

InChI

InChI=1S/C26H26N4O4/c1-3-15(2)29-24(31)17-10-13-20(22(14-17)26(33)34)19-6-4-5-7-21(19)25(32)30-18-11-8-16(9-12-18)23(27)28/h4-15H,3H2,1-2H3,(H3,27,28)(H,29,31)(H,30,32)(H,33,34)/p-1