(phenylmethyl) 6-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-2,3-dimethoxy-benzoate

Systemtic Name: (phenylmethyl) 6-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-2,3-dimethoxy-benzoate Openeye Name: benzyl 6-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-2,3-dimethoxy-benzoate CAS Name: 6-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-2,3-dimethoxybenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-2,3-dimethoxybenzoate Traditional Name: 6-[2-[(4-amidinophenyl)carbamoyl]phenyl]-2,3-dimethoxy-benzoic acid benzyl ester Formula: C30H27N3O5 MolecularWeight: 509.55248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C30H27N3O5/c1-36-25-17-16-23(26(27(25)37-2)30(35)38-18-19-8-4-3-5-9-19)22-10-6-7-11-24(22)29(34)33-21-14-12-20(13-15-21)28(31)32/h3-17H,18H2,1-2H3,(H3,31,32)(H,33,34)