ethyl (3S)-1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-keto-ethyl]nipecotic acid ethyl ester Formula: C22H34N2O4 MolecularWeight: 390.51636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NCCOC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC(=O)NCCOC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H34N2O4/c1-5-27-21(26)17-7-6-13-24(15-17)16-20(25)23-12-14-28-19-10-8-18(9-11-19)22(2,3)4/h8-11,17H,5-7,12-16H2,1-4H3,(H,23,25)/t17-/m0/s1