methyl 3-[4-[3-(3-oxidanylpropyl)phenyl]butyl]benzoate

Systemtic Name: methyl 3-[4-[3-(3-oxidanylpropyl)phenyl]butyl]benzoate Openeye Name: methyl 3-[4-[3-(3-hydroxypropyl)phenyl]butyl]benzoate CAS Name: 3-[4-[3-(3-hydroxypropyl)phenyl]butyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(3-hydroxypropyl)phenyl]butyl]benzoate Traditional Name: 3-[4-[3-(3-hydroxypropyl)phenyl]butyl]benzoic acid methyl ester Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CCCCC2=CC(=CC=C2)CCCO

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CCCCC2=CC(=CC=C2)CCCO

InChI

InChI=1S/C21H26O3/c1-24-21(23)20-13-5-11-19(16-20)8-3-2-7-17-9-4-10-18(15-17)12-6-14-22/h4-5,9-11,13,15-16,22H,2-3,6-8,12,14H2,1H3