(phenylmethyl) 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-methoxy-naphthalene-2-carboxylate

Systemtic Name: (phenylmethyl) 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-methoxy-naphthalene-2-carboxylate Openeye Name: benzyl 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-methoxy-naphthalene-2-carboxylate CAS Name: 3-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-methoxy-2-naphthalenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-methoxynaphthalene-2-carboxylate Traditional Name: 3-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-methoxy-naphthalene-2-carboxylic acid benzyl ester Formula: C33H27N3O4 MolecularWeight: 529.58518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=CC(=C(C=C21)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC2=CC(=C(C=C21)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C33H27N3O4/c1-39-30-13-7-10-23-18-29(33(38)40-20-21-8-3-2-4-9-21)28(19-27(23)30)25-11-5-6-12-26(25)32(37)36-24-16-14-22(15-17-24)31(34)35/h2-19H,20H2,1H3,(H3,34,35)(H,36,37)