2-[2-[(4-octyl-2-oxidanyl-cyclopentyl)amino]phenyl]carbonylbenzoic acid

Systemtic Name: 2-[2-[(4-octyl-2-oxidanyl-cyclopentyl)amino]phenyl]carbonylbenzoic acid Openeye Name: 2-[2-[(2-hydroxy-4-octyl-cyclopentyl)amino]benzoyl]benzoic acid CAS Name: 2-[[2-[(2-hydroxy-4-octylcyclopentyl)amino]phenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(2-hydroxy-4-octylcyclopentyl)amino]benzoyl]benzoic acid Traditional Name: 2-[2-[(2-hydroxy-4-octyl-cyclopentyl)amino]benzoyl]benzoic acid Formula: C27H35NO4 MolecularWeight: 437.5711

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CC(C(C1)O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCCCCCC1CC(C(C1)O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C27H35NO4/c1-2-3-4-5-6-7-12-19-17-24(25(29)18-19)28-23-16-11-10-15-22(23)26(30)20-13-8-9-14-21(20)27(31)32/h8-11,13-16,19,24-25,28-29H,2-7,12,17-18H2,1H3,(H,31,32)