ethyl 2-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]piperidin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]piperidin-1-yl]ethanoate Openeye Name: ethyl 2-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-1-piperidyl]acetate CAS Name: 2-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1-piperidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]piperidin-1-yl]acetate Traditional Name: 2-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]piperidino]acetic acid ethyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCC(CC1)(C#N)C2=CC(=C(C=C2)OC)OCC3CC3

Isomeric SMILES

CCOC(=O)CN1CCC(CC1)(C#N)C2=CC(=C(C=C2)OC)OCC3CC3

InChI

InChI=1S/C21H28N2O4/c1-3-26-20(24)13-23-10-8-21(15-22,9-11-23)17-6-7-18(25-2)19(12-17)27-14-16-4-5-16/h6-7,12,16H,3-5,8-11,13-14H2,1-2H3