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

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-methoxy-3H-naphthalene-2-carboxylate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-methoxy-3H-naphthalene-2-carboxylate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-methoxy-3H-naphthalene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-methoxy-3H-naphthalene-2-carboxylate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-methoxy-3H-naphthalene-2-carboxylic acid benzyl ester Formula: C33H29N3O4 MolecularWeight: 531.60106

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H29N3O4/c1-39-29-13-7-10-24-20-33(19-18-26(24)29,32(38)40-21-22-8-3-2-4-9-22)28-12-6-5-11-27(28)31(37)36-25-16-14-23(15-17-25)30(34)35/h2-18,20H,19,21H2,1H3,(H3,34,35)(H,36,37)