4-[(4-butoxycarbonyl-3-oxidanyl-2-propyl-phenoxy)methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[(4-butoxycarbonyl-3-oxidanyl-2-propyl-phenoxy)methyl]-3-methoxy-benzoic acid Openeye Name: 4-[(4-butoxycarbonyl-3-hydroxy-2-propyl-phenoxy)methyl]-3-methoxy-benzoic acid CAS Name: 4-[[4-[butoxy(oxo)methyl]-3-hydroxy-2-propylphenoxy]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[(4-butoxycarbonyl-3-hydroxy-2-propylphenoxy)methyl]-3-methoxybenzoic acid Traditional Name: 4-[(4-butoxycarbonyl-3-hydroxy-2-propyl-phenoxy)methyl]-3-methoxy-benzoic acid Formula: C23H28O7 MolecularWeight: 416.46422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C(=C(C=C1)OCC2=C(C=C(C=C2)C(=O)O)OC)CCC)O

Isomeric SMILES

CCCCOC(=O)C1=C(C(=C(C=C1)OCC2=C(C=C(C=C2)C(=O)O)OC)CCC)O

InChI

InChI=1S/C23H28O7/c1-4-6-12-29-23(27)18-10-11-19(17(7-5-2)21(18)24)30-14-16-9-8-15(22(25)26)13-20(16)28-3/h8-11,13,24H,4-7,12,14H2,1-3H3,(H,25,26)