(phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-pyridin-3-yl]-5-(3-methylbut-2-enylcarbamoyl)benzoate

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-pyridin-3-yl]-5-(3-methylbut-2-enylcarbamoyl)benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-3-pyridyl]-5-(3-methylbut-2-enylcarbamoyl)benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methyl-3-pyridinyl]-5-[(3-methylbut-2-enylamino)-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methylpyridin-3-yl]-5-(3-methylbut-2-enylcarbamoyl)benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methyl-3-pyridyl]-5-(3-methylbut-2-enylcarbamoyl)benzoic acid benzyl ester Formula: C34H33N5O4 MolecularWeight: 575.65692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCC=C(C)C)C(=O)OCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC1=NC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCC=C(C)C)C(=O)OCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C34H33N5O4/c1-21(2)17-18-37-32(40)25-12-16-27(29(19-25)34(42)43-20-23-7-5-4-6-8-23)28-15-9-22(3)38-30(28)33(41)39-26-13-10-24(11-14-26)31(35)36/h4-17,19H,18,20H2,1-3H3,(H3,35,36)(H,37,40)(H,39,41)