tert-butyl 3-[4-[3-(6-cyanonaphthalen-2-yl)-1-ethoxy-1-oxidanylidene-propan-2-yl]phenoxy]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-[3-(6-cyanonaphthalen-2-yl)-1-ethoxy-1-oxidanylidene-propan-2-yl]phenoxy]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[4-[1-[(6-cyano-2-naphthyl)methyl]-2-ethoxy-2-oxo-ethyl]phenoxy]pyrrolidine-1-carboxylate CAS Name: 3-[4-[3-(6-cyano-2-naphthalenyl)-1-ethoxy-1-oxopropan-2-yl]phenoxy]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[3-(6-cyanonaphthalen-2-yl)-1-ethoxy-1-oxopropan-2-yl]phenoxy]pyrrolidine-1-carboxylate Traditional Name: 3-[4-[1-[(6-cyano-2-naphthyl)methyl]-2-ethoxy-2-keto-ethyl]phenoxy]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C31H34N2O5 MolecularWeight: 514.61206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=C(C=C1)C=C(C=C2)C#N)C3=CC=C(C=C3)OC4CCN(C4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC2=C(C=C1)C=C(C=C2)C#N)C3=CC=C(C=C3)OC4CCN(C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H34N2O5/c1-5-36-29(34)28(18-21-6-8-25-17-22(19-32)7-9-24(25)16-21)23-10-12-26(13-11-23)37-27-14-15-33(20-27)30(35)38-31(2,3)4/h6-13,16-17,27-28H,5,14-15,18,20H2,1-4H3