methyl 2-[4-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]-5-(2-methylpropylcarbamoyl)benzoate

Systemtic Name: methyl 2-[4-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]-5-(2-methylpropylcarbamoyl)benzoate Openeye Name: methyl 2-[4-[(4-carbamimidoylphenyl)carbamoyl]-3-pyridyl]-5-(isobutylcarbamoyl)benzoate CAS Name: 2-[4-[(4-carbamimidoylanilino)-oxomethyl]-3-pyridinyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]-5-(2-methylpropylcarbamoyl)benzoate Traditional Name: 2-[4-[(4-amidinophenyl)carbamoyl]-3-pyridyl]-5-(isobutylcarbamoyl)benzoic acid methyl ester Formula: C26H27N5O4 MolecularWeight: 473.52368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(C=CN=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OC

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(C=CN=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OC

InChI

InChI=1S/C26H27N5O4/c1-15(2)13-30-24(32)17-6-9-19(21(12-17)26(34)35-3)22-14-29-11-10-20(22)25(33)31-18-7-4-16(5-8-18)23(27)28/h4-12,14-15H,13H2,1-3H3,(H3,27,28)(H,30,32)(H,31,33)