2-[5-[(4-carbamimidoylphenyl)carbamoyl]-1,3-benzodioxol-4-yl]-5-(2-methylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[5-[(4-carbamimidoylphenyl)carbamoyl]-1,3-benzodioxol-4-yl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[5-[(4-carbamimidoylphenyl)carbamoyl]-1,3-benzodioxol-4-yl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[5-[(4-carbamimidoylanilino)-oxomethyl]-1,3-benzodioxol-4-yl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[5-[(4-carbamimidoylphenyl)carbamoyl]-1,3-benzodioxol-4-yl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[5-[(4-amidinophenyl)carbamoyl]-1,3-benzodioxol-4-yl]-5-(isobutylcarbamoyl)benzoic acid Formula: C27H26N4O6 MolecularWeight: 502.51854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(C=CC3=C2OCO3)C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(C=CC3=C2OCO3)C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C27H26N4O6/c1-14(2)12-30-25(32)16-5-8-18(20(11-16)27(34)35)22-19(9-10-21-23(22)37-13-36-21)26(33)31-17-6-3-15(4-7-17)24(28)29/h3-11,14H,12-13H2,1-2H3,(H3,28,29)(H,30,32)(H,31,33)(H,34,35)