3-chloranyl-4-[4-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethoxy]phenyl]benzoic acid

Systemtic Name: 3-chloranyl-4-[4-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethoxy]phenyl]benzoic acid Openeye Name: 3-chloro-4-[4-[2-(diisopropylamino)-2-oxo-ethoxy]phenyl]benzoic acid CAS Name: 3-chloro-4-[4-[2-[di(propan-2-yl)amino]-2-oxoethoxy]phenyl]benzoic acid IUPAC Name: 3-chloro-4-[4-[2-[di(propan-2-yl)amino]-2-oxoethoxy]phenyl]benzoic acid Traditional Name: 3-chloro-4-[4-[2-(diisopropylamino)-2-keto-ethoxy]phenyl]benzoic acid Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)COC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)Cl

Isomeric SMILES

CC(C)N(C(C)C)C(=O)COC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C21H24ClNO4/c1-13(2)23(14(3)4)20(24)12-27-17-8-5-15(6-9-17)18-10-7-16(21(25)26)11-19(18)22/h5-11,13-14H,12H2,1-4H3,(H,25,26)