2-[[4-(1-oxidanyl-1-oxidanylidene-octan-2-yl)phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-(1-oxidanyl-1-oxidanylidene-octan-2-yl)phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-(1-carboxyheptyl)phenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-(1-hydroxy-1-oxooctan-2-yl)anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-(1-hydroxy-1-oxooctan-2-yl)phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-(1-carboxyheptyl)phenyl]carbamoyl]benzoic acid Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC(C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O)C(=O)O

InChI

InChI=1S/C22H25NO5/c1-2-3-4-5-8-17(21(25)26)15-11-13-16(14-12-15)23-20(24)18-9-6-7-10-19(18)22(27)28/h6-7,9-14,17H,2-5,8H2,1H3,(H,23,24)(H,25,26)(H,27,28)