ethyl (3S)-1-(4-methoxy-4-oxidanylidene-butanoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(4-methoxy-4-oxidanylidene-butanoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(4-methoxy-4-oxo-butanoyl)-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: (3S)-1-(4-methoxy-1,4-dioxobutyl)-3-[(2-methylphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(4-methoxy-4-oxobutanoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(4-keto-4-methoxy-butanoyl)-3-(2-methylbenzyl)nipecotic acid ethyl ester Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCC(=O)OC)CC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)CCC(=O)OC)CC2=CC=CC=C2C

InChI

InChI=1S/C21H29NO5/c1-4-27-20(25)21(14-17-9-6-5-8-16(17)2)12-7-13-22(15-21)18(23)10-11-19(24)26-3/h5-6,8-9H,4,7,10-15H2,1-3H3/t21-/m0/s1