(phenylmethyl) 2-[3-[(4-carbamimidoylphenyl)carbamoyl]naphthalen-2-yl]-5-methyl-benzoate

Systemtic Name: (phenylmethyl) 2-[3-[(4-carbamimidoylphenyl)carbamoyl]naphthalen-2-yl]-5-methyl-benzoate Openeye Name: benzyl 2-[3-[(4-carbamimidoylphenyl)carbamoyl]-2-naphthyl]-5-methyl-benzoate CAS Name: 2-[3-[(4-carbamimidoylanilino)-oxomethyl]-2-naphthalenyl]-5-methylbenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-[(4-carbamimidoylphenyl)carbamoyl]naphthalen-2-yl]-5-methylbenzoate Traditional Name: 2-[3-[(4-amidinophenyl)carbamoyl]-2-naphthyl]-5-methyl-benzoic acid benzyl ester Formula: C33H27N3O3 MolecularWeight: 513.58578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC3=CC=CC=C3C=C2C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC3=CC=CC=C3C=C2C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C33H27N3O3/c1-21-11-16-27(30(17-21)33(38)39-20-22-7-3-2-4-8-22)28-18-24-9-5-6-10-25(24)19-29(28)32(37)36-26-14-12-23(13-15-26)31(34)35/h2-19H,20H2,1H3,(H3,34,35)(H,36,37)