O4-tert-butyl O1-ethyl 4-[(3-methylphenyl)methyl]-3-oxidanylidene-piperidine-1,4-dicarboxylate

Systemtic Name: O4-tert-butyl O1-ethyl 4-[(3-methylphenyl)methyl]-3-oxidanylidene-piperidine-1,4-dicarboxylate Openeye Name: O4-tert-butyl O1-ethyl 4-(m-tolylmethyl)-3-oxo-piperidine-1,4-dicarboxylate CAS Name: 4-[(3-methylphenyl)methyl]-3-oxopiperidine-1,4-dicarboxylic acid O4-tert-butyl ester O1-ethyl ester IUPAC Name: 4-O-tert-butyl 1-O-ethyl 4-[(3-methylphenyl)methyl]-3-oxopiperidine-1,4-dicarboxylate Traditional Name: 3-keto-4-(3-methylbenzyl)piperidine-1,4-dicarboxylic acid O4-tert-butyl ester O1-ethyl ester Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(C(=O)C1)(CC2=CC=CC(=C2)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)N1CCC(C(=O)C1)(CC2=CC=CC(=C2)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H29NO5/c1-6-26-19(25)22-11-10-21(17(23)14-22,18(24)27-20(3,4)5)13-16-9-7-8-15(2)12-16/h7-9,12H,6,10-11,13-14H2,1-5H3