tert-butyl 4-[3-butoxy-4-(3-methoxy-3-oxidanylidene-propyl)phenyl]piperidine-4-carboxylate

Systemtic Name: tert-butyl 4-[3-butoxy-4-(3-methoxy-3-oxidanylidene-propyl)phenyl]piperidine-4-carboxylate Openeye Name: tert-butyl 4-[3-butoxy-4-(3-methoxy-3-oxo-propyl)phenyl]piperidine-4-carboxylate CAS Name: 4-[3-butoxy-4-(3-methoxy-3-oxopropyl)phenyl]-4-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-butoxy-4-(3-methoxy-3-oxopropyl)phenyl]piperidine-4-carboxylate Traditional Name: 4-[3-butoxy-4-(3-keto-3-methoxy-propyl)phenyl]isonipecotic acid tert-butyl ester Formula: C24H37NO5 MolecularWeight: 419.55428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C2(CCNCC2)C(=O)OC(C)(C)C)CCC(=O)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C2(CCNCC2)C(=O)OC(C)(C)C)CCC(=O)OC

InChI

InChI=1S/C24H37NO5/c1-6-7-16-29-20-17-19(10-8-18(20)9-11-21(26)28-5)24(12-14-25-15-13-24)22(27)30-23(2,3)4/h8,10,17,25H,6-7,9,11-16H2,1-5H3