2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[methyl(2-methylpropyl)carbamoyl]benzoate

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[methyl(2-methylpropyl)carbamoyl]benzoate Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[isobutyl(methyl)carbamoyl]benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[[methyl(2-methylpropyl)amino]-oxomethyl]benzoate IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[methyl(2-methylpropyl)carbamoyl]benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-[isobutyl(methyl)carbamoyl]benzoate Formula: C27H27N4O4- MolecularWeight: 471.52768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CN(C)C(=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/C27H28N4O4/c1-16(2)15-31(3)26(33)18-10-13-21(23(14-18)27(34)35)20-6-4-5-7-22(20)25(32)30-19-11-8-17(9-12-19)24(28)29/h4-14,16H,15H2,1-3H3,(H3,28,29)(H,30,32)(H,34,35)/p-1