2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(4-methylpentanoyl)benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(4-methylpentanoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(4-methylpentanoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-(4-methyl-1-oxopentyl)benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(4-methylpentanoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(4-methylpentanoyl)benzoic acid Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)CCC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C27H27N3O4/c1-16(2)7-14-24(31)18-10-13-21(23(15-18)27(33)34)20-5-3-4-6-22(20)26(32)30-19-11-8-17(9-12-19)25(28)29/h3-6,8-13,15-16H,7,14H2,1-2H3,(H3,28,29)(H,30,32)(H,33,34)