2-[2-[(4-carbamimidoyl-2-methyl-phenyl)carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoyl-2-methyl-phenyl)carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoyl-2-methyl-phenyl)carbamoyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoyl-2-methylanilino)-oxomethyl]phenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoyl-2-methylphenyl)carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidino-2-methyl-phenyl)carbamoyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=N)N)NC(=O)C2=CC=CC=C2C3=C(C=C(C=C3)C(=O)NCC(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=N)N)NC(=O)C2=CC=CC=C2C3=C(C=C(C=C3)C(=O)NCC(C)C)C(=O)O

InChI

InChI=1S/C27H28N4O4/c1-15(2)14-30-25(32)18-8-10-20(22(13-18)27(34)35)19-6-4-5-7-21(19)26(33)31-23-11-9-17(24(28)29)12-16(23)3/h4-13,15H,14H2,1-3H3,(H3,28,29)(H,30,32)(H,31,33)(H,34,35)