(phenylmethyl) 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-6-methoxy-naphthalene-2-carboxylate

Systemtic Name: (phenylmethyl) 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-6-methoxy-naphthalene-2-carboxylate Openeye Name: benzyl 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-6-methoxy-naphthalene-2-carboxylate CAS Name: 3-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-6-methoxy-2-naphthalenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-6-methoxynaphthalene-2-carboxylate Traditional Name: 3-[2-[(4-amidinophenyl)carbamoyl]phenyl]-6-methoxy-naphthalene-2-carboxylic acid benzyl ester Formula: C33H27N3O4 MolecularWeight: 529.58518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=C(C=C2C=C1)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4C(=O)NC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

COC1=CC2=CC(=C(C=C2C=C1)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4C(=O)NC5=CC=C(C=C5)C(=N)N

InChI

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