4-(3,4-dimethoxyphenyl)butanoic acid; 3-(3,4-dimethoxyphenyl)propan-1-ol

Systemtic Name: 4-(3,4-dimethoxyphenyl)butanoic acid; 3-(3,4-dimethoxyphenyl)propan-1-ol Openeye Name: 4-(3,4-dimethoxyphenyl)butanoic acid; 3-(3,4-dimethoxyphenyl)propan-1-ol CAS Name: 4-(3,4-dimethoxyphenyl)butanoic acid; 3-(3,4-dimethoxyphenyl)-1-propanol IUPAC Name: 4-(3,4-dimethoxyphenyl)butanoic acid; 3-(3,4-dimethoxyphenyl)propan-1-ol Traditional Name: 4-(3,4-dimethoxyphenyl)butyric acid; 3-(3,4-dimethoxyphenyl)propan-1-ol Formula: C23H32O7 MolecularWeight: 420.49598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCCC(=O)O)OC.COC1=C(C=C(C=C1)CCCO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCCC(=O)O)OC.COC1=C(C=C(C=C1)CCCO)OC

InChI

InChI=1S/C12H16O4.C11H16O3/c1-15-10-7-6-9(8-11(10)16-2)4-3-5-12(13)14;1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h6-8H,3-5H2,1-2H3,(H,13,14);5-6,8,12H,3-4,7H2,1-2H3