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

Systemtic Name: (phenylmethyl) 2-[3-[(4-carbamimidoylphenyl)carbamoyl]naphthalen-2-yl]-5-(2-methylpropylcarbamoyl)benzoate Openeye Name: benzyl 2-[3-[(4-carbamimidoylphenyl)carbamoyl]-2-naphthyl]-5-(isobutylcarbamoyl)benzoate CAS Name: 2-[3-[(4-carbamimidoylanilino)-oxomethyl]-2-naphthalenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-[(4-carbamimidoylphenyl)carbamoyl]naphthalen-2-yl]-5-(2-methylpropylcarbamoyl)benzoate Traditional Name: 2-[3-[(4-amidinophenyl)carbamoyl]-2-naphthyl]-5-(isobutylcarbamoyl)benzoic acid benzyl ester Formula: C37H34N4O4 MolecularWeight: 598.69026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=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

CC(C)CNC(=O)C1=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/C37H34N4O4/c1-23(2)21-40-35(42)28-14-17-30(33(20-28)37(44)45-22-24-8-4-3-5-9-24)31-18-26-10-6-7-11-27(26)19-32(31)36(43)41-29-15-12-25(13-16-29)34(38)39/h3-20,23H,21-22H2,1-2H3,(H3,38,39)(H,40,42)(H,41,43)