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

Systemtic Name: (phenylmethyl) 5-(butan-2-ylcarbamoyl)-2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(sec-butylcarbamoyl)benzoate CAS Name: 5-[(butan-2-ylamino)-oxomethyl]-2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(butan-2-ylcarbamoyl)-2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(sec-butylcarbamoyl)benzoic acid benzyl ester Formula: C33H32N4O4 MolecularWeight: 548.63158

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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)OCC4=CC=CC=C4

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)OCC4=CC=CC=C4

InChI

InChI=1S/C33H32N4O4/c1-3-21(2)36-31(38)24-15-18-27(29(19-24)33(40)41-20-22-9-5-4-6-10-22)26-11-7-8-12-28(26)32(39)37-25-16-13-23(14-17-25)30(34)35/h4-19,21H,3,20H2,1-2H3,(H3,34,35)(H,36,38)(H,37,39)