(3-cyano-4-oxidanylidene-4-piperidin-1-yl-butyl) 4-methylbenzoate

Systemtic Name: (3-cyano-4-oxidanylidene-4-piperidin-1-yl-butyl) 4-methylbenzoate Openeye Name: [3-cyano-4-oxo-4-(1-piperidyl)butyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-cyano-4-oxo-4-(1-piperidinyl)butyl] ester IUPAC Name: (3-cyano-4-oxo-4-piperidin-1-ylbutyl) 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (3-cyano-4-keto-4-piperidino-butyl) ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCCC(C#N)C(=O)N2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCCC(C#N)C(=O)N2CCCCC2

InChI

InChI=1S/C18H22N2O3/c1-14-5-7-15(8-6-14)18(22)23-12-9-16(13-19)17(21)20-10-3-2-4-11-20/h5-8,16H,2-4,9-12H2,1H3