(phenylmethyl) 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-8-(methoxymethoxy)naphthalene-2-carboxylate

Systemtic Name: (phenylmethyl) 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-8-(methoxymethoxy)naphthalene-2-carboxylate Openeye Name: benzyl 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-8-(methoxymethoxy)naphthalene-2-carboxylate CAS Name: 3-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-8-(methoxymethoxy)-2-naphthalenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-8-(methoxymethoxy)naphthalene-2-carboxylate Traditional Name: 3-[2-[(4-amidinophenyl)carbamoyl]phenyl]-8-(methoxymethoxy)naphthalene-2-carboxylic acid benzyl ester Formula: C34H29N3O5 MolecularWeight: 559.61116

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Descriptors Computed from Structure

Canonical SMILES:

COCOC1=CC=CC2=CC(=C(C=C21)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4C(=O)NC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

COCOC1=CC=CC2=CC(=C(C=C21)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4C(=O)NC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C34H29N3O5/c1-40-21-42-31-13-7-10-24-18-29(30(19-28(24)31)34(39)41-20-22-8-3-2-4-9-22)26-11-5-6-12-27(26)33(38)37-25-16-14-23(15-17-25)32(35)36/h2-19H,20-21H2,1H3,(H3,35,36)(H,37,38)