3-methylbutyl 2-methylbenzoate

Systemtic Name: 3-methylbutyl 2-methylbenzoate Openeye Name: isopentyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-methylbenzoate Traditional Name: 2-methylbenzoic acid isoamyl ester Formula: C13H18O2 MolecularWeight: 206.28082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCCC(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCCC(C)C

InChI

InChI=1S/C13H18O2/c1-10(2)8-9-15-13(14)12-7-5-4-6-11(12)3/h4-7,10H,8-9H2,1-3H3