bis(phenylmethyl) 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzene-1,2-dicarboxylate

Systemtic Name: bis(phenylmethyl) 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzene-1,2-dicarboxylate Openeye Name: dibenzyl 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzene-1,2-dicarboxylate CAS Name: 3-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]benzene-1,2-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzene-1,2-dicarboxylate Traditional Name: 3-[2-[(4-amidinophenyl)carbamoyl]phenyl]benzene-1,2-dicarboxylic acid dibenzyl ester Formula: C36H29N3O5 MolecularWeight: 583.63256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC=CC(=C2C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4C(=O)NC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC=CC(=C2C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4C(=O)NC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C36H29N3O5/c37-33(38)26-18-20-27(21-19-26)39-34(40)30-15-8-7-14-28(30)29-16-9-17-31(35(41)43-22-24-10-3-1-4-11-24)32(29)36(42)44-23-25-12-5-2-6-13-25/h1-21H,22-23H2,(H3,37,38)(H,39,40)