3-(2-methylpiperidin-1-yl)propyl 4-(3-methylbutyl)benzoate

Systemtic Name: 3-(2-methylpiperidin-1-yl)propyl 4-(3-methylbutyl)benzoate Openeye Name: 3-(2-methyl-1-piperidyl)propyl 4-isopentylbenzoate CAS Name: 4-(3-methylbutyl)benzoic acid 3-(2-methyl-1-piperidinyl)propyl ester IUPAC Name: 3-(2-methylpiperidin-1-yl)propyl 4-(3-methylbutyl)benzoate Traditional Name: 4-isoamylbenzoic acid 3-(2-methylpiperidino)propyl ester Formula: C21H33NO2 MolecularWeight: 331.49222

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)CCC(C)C

Isomeric SMILES

CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)CCC(C)C

InChI

InChI=1S/C21H33NO2/c1-17(2)8-9-19-10-12-20(13-11-19)21(23)24-16-6-15-22-14-5-4-7-18(22)3/h10-13,17-18H,4-9,14-16H2,1-3H3