diethylamino 2-[4-[(2-oxidanylidenecyclopentyl)methyl]phenyl]propanoate; ethanoic acid

Systemtic Name: diethylamino 2-[4-[(2-oxidanylidenecyclopentyl)methyl]phenyl]propanoate; ethanoic acid Openeye Name: acetic acid; diethylamino 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoate CAS Name: acetic acid; 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid diethylamino ester IUPAC Name: acetic acid; diethylamino 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoate Traditional Name: acetic acid; 2-[4-[(2-ketocyclopentyl)methyl]phenyl]propionic acid diethylamino ester Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)OC(=O)C(C)C1=CC=C(C=C1)CC2CCCC2=O.CC(=O)O

Isomeric SMILES

CCN(CC)OC(=O)C(C)C1=CC=C(C=C1)CC2CCCC2=O.CC(=O)O

InChI

InChI=1S/C19H27NO3.C2H4O2/c1-4-20(5-2)23-19(22)14(3)16-11-9-15(10-12-16)13-17-7-6-8-18(17)21;1-2(3)4/h9-12,14,17H,4-8,13H2,1-3H3;1H3,(H,3,4)