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

Systemtic Name: bis(phenylmethyl) 4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzene-1,3-dicarboxylate Openeye Name: dibenzyl 4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzene-1,3-dicarboxylate CAS Name: 4-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]benzene-1,3-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzene-1,3-dicarboxylate Traditional Name: 4-[2-[(4-amidinophenyl)carbamoyl]phenyl]benzene-1,3-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(=C(C=C2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)OCC5=CC=CC=C5

InChI

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