(phenylmethyl) 2-[2-[(6-carbamimidoylpyridin-3-yl)carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoate

Systemtic Name: (phenylmethyl) 2-[2-[(6-carbamimidoylpyridin-3-yl)carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoate Openeye Name: benzyl 2-[2-[(6-carbamimidoyl-3-pyridyl)carbamoyl]phenyl]-5-(isobutylcarbamoyl)benzoate CAS Name: 2-[2-[[(6-carbamimidoyl-3-pyridinyl)amino]-oxomethyl]phenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(6-carbamimidoylpyridin-3-yl)carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoate Traditional Name: 2-[2-[(6-amidino-3-pyridyl)carbamoyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid benzyl ester Formula: C32H31N5O4 MolecularWeight: 549.61964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CN=C(C=C3)C(=N)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CN=C(C=C3)C(=N)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C32H31N5O4/c1-20(2)17-36-30(38)22-12-14-25(27(16-22)32(40)41-19-21-8-4-3-5-9-21)24-10-6-7-11-26(24)31(39)37-23-13-15-28(29(33)34)35-18-23/h3-16,18,20H,17,19H2,1-2H3,(H3,33,34)(H,36,38)(H,37,39)