2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-prop-2-enyl-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-prop-2-enyl-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[4-allyl-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-prop-2-enylphenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-prop-2-enylphenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[4-allyl-2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C29H30N4O4 MolecularWeight: 498.5729

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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)CC=C)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O4/c1-4-5-18-6-12-22(24(14-18)28(35)33-21-10-7-19(8-11-21)26(30)31)23-13-9-20(15-25(23)29(36)37)27(34)32-16-17(2)3/h4,6-15,17H,1,5,16H2,2-3H3,(H3,30,31)(H,32,34)(H,33,35)(H,36,37)