4-[7-oxidanyl-7-oxidanylidene-2-(phenylazanylmethyl)heptyl]benzoic acid

Systemtic Name: 4-[7-oxidanyl-7-oxidanylidene-2-(phenylazanylmethyl)heptyl]benzoic acid Openeye Name: 4-[2-(anilinomethyl)-7-hydroxy-7-oxo-heptyl]benzoic acid CAS Name: 4-[2-(anilinomethyl)-7-hydroxy-7-oxoheptyl]benzoic acid IUPAC Name: 4-[2-(anilinomethyl)-7-hydroxy-7-oxoheptyl]benzoic acid Traditional Name: 4-[2-(anilinomethyl)-7-hydroxy-7-keto-heptyl]benzoic acid Formula: C21H25NO4 MolecularWeight: 355.4275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCC(CCCCC(=O)O)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NCC(CCCCC(=O)O)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H25NO4/c23-20(24)9-5-4-6-17(15-22-19-7-2-1-3-8-19)14-16-10-12-18(13-11-16)21(25)26/h1-3,7-8,10-13,17,22H,4-6,9,14-15H2,(H,23,24)(H,25,26)