methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-oxidanyl-phenyl]-5-(2-methylpropylcarbamoyl)benzoate

Systemtic Name: methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-oxidanyl-phenyl]-5-(2-methylpropylcarbamoyl)benzoate Openeye Name: methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-hydroxy-phenyl]-5-(isobutylcarbamoyl)benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-hydroxyphenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-hydroxyphenyl]-5-(2-methylpropylcarbamoyl)benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-hydroxy-phenyl]-5-(isobutylcarbamoyl)benzoic acid methyl ester Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(C=CC=C2O)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=CC=C2O)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OC

InChI

InChI=1S/C27H28N4O5/c1-15(2)14-30-25(33)17-9-12-19(21(13-17)27(35)36-3)23-20(5-4-6-22(23)32)26(34)31-18-10-7-16(8-11-18)24(28)29/h4-13,15,32H,14H2,1-3H3,(H3,28,29)(H,30,33)(H,31,34)