(phenylmethyl) 4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-1,3-benzodioxole-5-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-1,3-benzodioxole-5-carboxylate Openeye Name: benzyl 4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-1,3-benzodioxole-5-carboxylate CAS Name: 4-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-1,3-benzodioxole-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-1,3-benzodioxole-5-carboxylate Traditional Name: 4-[2-[(4-amidinophenyl)carbamoyl]phenyl]-piperonylic acid benzyl ester Formula: C29H23N3O5 MolecularWeight: 493.51002

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=C(C=C2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4C(=O)NC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

C1OC2=C(O1)C(=C(C=C2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4C(=O)NC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C29H23N3O5/c30-27(31)19-10-12-20(13-11-19)32-28(33)22-9-5-4-8-21(22)25-23(14-15-24-26(25)37-17-36-24)29(34)35-16-18-6-2-1-3-7-18/h1-15H,16-17H2,(H3,30,31)(H,32,33)