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

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(dimethylcarbamoyl)benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(dimethylcarbamoyl)benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[dimethylamino(oxo)methyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(dimethylcarbamoyl)benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(dimethylcarbamoyl)benzoic acid benzyl ester Formula: C31H28N4O4 MolecularWeight: 520.57842

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=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

CN(C)C(=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/C31H28N4O4/c1-35(2)30(37)22-14-17-25(27(18-22)31(38)39-19-20-8-4-3-5-9-20)24-10-6-7-11-26(24)29(36)34-23-15-12-21(13-16-23)28(32)33/h3-18H,19H2,1-2H3,(H3,32,33)(H,34,36)