(phenylmethyl) 5-(tert-butylcarbamoyl)-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]benzoate

Systemtic Name: (phenylmethyl) 5-(tert-butylcarbamoyl)-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]benzoate Openeye Name: benzyl 5-(tert-butylcarbamoyl)-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]benzoate CAS Name: 5-[(tert-butylamino)-oxomethyl]-2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(tert-butylcarbamoyl)-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl]benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-(tert-butylcarbamoyl)benzoic acid benzyl ester Formula: C33H33N5O5 MolecularWeight: 579.64562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC(=C(C=C1)C2=C(N=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC(=C(C=C1)C2=C(N=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C33H33N5O5/c1-33(2,3)38-30(39)22-12-15-24(26(18-22)32(41)43-19-20-8-6-5-7-9-20)25-16-17-27(42-4)37-28(25)31(40)36-23-13-10-21(11-14-23)29(34)35/h5-18H,19H2,1-4H3,(H3,34,35)(H,36,40)(H,38,39)