ethyl 2-[4-(4-cyanophenyl)carbonyl-4-azaspiro[5.5]undecan-9-yl]ethanoate

Systemtic Name: ethyl 2-[4-(4-cyanophenyl)carbonyl-4-azaspiro[5.5]undecan-9-yl]ethanoate Openeye Name: ethyl 2-[4-(4-cyanobenzoyl)-4-azaspiro[5.5]undecan-9-yl]acetate CAS Name: 2-[4-[(4-cyanophenyl)-oxomethyl]-4-azaspiro[5.5]undecan-9-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-cyanobenzoyl)-4-azaspiro[5.5]undecan-9-yl]acetate Traditional Name: 2-[4-(4-cyanobenzoyl)-4-azaspiro[5.5]undecan-9-yl]acetic acid ethyl ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CCC2(CCCN(C2)C(=O)C3=CC=C(C=C3)C#N)CC1

Isomeric SMILES

CCOC(=O)CC1CCC2(CCCN(C2)C(=O)C3=CC=C(C=C3)C#N)CC1

InChI

InChI=1S/C22H28N2O3/c1-2-27-20(25)14-17-8-11-22(12-9-17)10-3-13-24(16-22)21(26)19-6-4-18(15-23)5-7-19/h4-7,17H,2-3,8-14,16H2,1H3