propan-1-ol; propan-2-yl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate

Systemtic Name: propan-1-ol; propan-2-yl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate Openeye Name: isopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoate; propan-1-ol CAS Name: 2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methylpropanoic acid propan-2-yl ester; 1-propanol IUPAC Name: propan-1-ol; propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate Traditional Name: 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propionic acid isopropyl ester; propan-1-ol Formula: C23H29ClO5 MolecularWeight: 420.92636

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Descriptors Computed from Structure

Canonical SMILES:

CCCO.CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCO.CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H21ClO4.C3H8O/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14;1-2-3-4/h5-13H,1-4H3;4H,2-3H2,1H3