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

Systemtic Name: methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethanoyl-phenyl]-5-(2-methylpropylcarbamoyl)benzoate Openeye Name: methyl 2-[4-acetyl-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(isobutylcarbamoyl)benzoate CAS Name: 2-[4-acetyl-2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-acetyl-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoate Traditional Name: 2-[4-acetyl-2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid methyl ester Formula: C29H30N4O5 MolecularWeight: 514.5723

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H30N4O5/c1-16(2)15-32-27(35)20-8-12-23(25(14-20)29(37)38-4)22-11-7-19(17(3)34)13-24(22)28(36)33-21-9-5-18(6-10-21)26(30)31/h5-14,16H,15H2,1-4H3,(H3,30,31)(H,32,35)(H,33,36)