[3-(dimethylaminomethyl)-2-propyl-phenyl] pentanoate

Systemtic Name: [3-(dimethylaminomethyl)-2-propyl-phenyl] pentanoate Openeye Name: [3-(dimethylaminomethyl)-2-propyl-phenyl] pentanoate CAS Name: pentanoic acid [3-(dimethylaminomethyl)-2-propylphenyl] ester IUPAC Name: [3-(dimethylaminomethyl)-2-propylphenyl] pentanoate Traditional Name: valeric acid [3-(dimethylaminomethyl)-2-propyl-phenyl] ester Formula: C17H27NO2 MolecularWeight: 277.40178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC=CC(=C1CCC)CN(C)C

Isomeric SMILES

CCCCC(=O)OC1=CC=CC(=C1CCC)CN(C)C

InChI

InChI=1S/C17H27NO2/c1-5-7-12-17(19)20-16-11-8-10-14(13-18(3)4)15(16)9-6-2/h8,10-11H,5-7,9,12-13H2,1-4H3