ethanoic acid; piperidin-3-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate

Systemtic Name: ethanoic acid; piperidin-3-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate Openeye Name: acetic acid; 3-piperidylmethyl 2-(4-isobutylphenyl)propanoate CAS Name: acetic acid; 2-[4-(2-methylpropyl)phenyl]propanoic acid 3-piperidinylmethyl ester IUPAC Name: acetic acid; piperidin-3-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate Traditional Name: acetic acid; 2-(4-isobutylphenyl)propionic acid 3-piperidylmethyl ester Formula: C21H33NO4 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCC2CCCNC2.CC(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCC2CCCNC2.CC(=O)O

InChI

InChI=1S/C19H29NO2.C2H4O2/c1-14(2)11-16-6-8-18(9-7-16)15(3)19(21)22-13-17-5-4-10-20-12-17;1-2(3)4/h6-9,14-15,17,20H,4-5,10-13H2,1-3H3;1H3,(H,3,4)