4-(3-methylbutoxycarbonyl)benzoic acid

Systemtic Name: 4-(3-methylbutoxycarbonyl)benzoic acid Openeye Name: 4-isopentyloxycarbonylbenzoic acid CAS Name: 4-[3-methylbutoxy(oxo)methyl]benzoic acid IUPAC Name: 4-(3-methylbutoxycarbonyl)benzoic acid Traditional Name: 4-isoamoxycarbonylbenzoic acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)CCOC(=O)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H16O4/c1-9(2)7-8-17-13(16)11-5-3-10(4-6-11)12(14)15/h3-6,9H,7-8H2,1-2H3,(H,14,15)