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

Systemtic Name: ethyl 2-[4-(4-isocyanophenyl)carbonyl-4-azaspiro[5.5]undecan-9-yl]ethanoate Openeye Name: ethyl 2-[4-(4-isocyanobenzoyl)-4-azaspiro[5.5]undecan-9-yl]acetate CAS Name: 2-[4-[(4-isocyanophenyl)-oxomethyl]-4-azaspiro[5.5]undecan-9-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-isocyanobenzoyl)-4-azaspiro[5.5]undecan-9-yl]acetate Traditional Name: 2-[4-(4-isocyanobenzoyl)-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)[N+]#[C-])CC1

Isomeric SMILES

CCOC(=O)CC1CCC2(CCCN(C2)C(=O)C3=CC=C(C=C3)[N+]#[C-])CC1

InChI

InChI=1S/C22H28N2O3/c1-3-27-20(25)15-17-9-12-22(13-10-17)11-4-14-24(16-22)21(26)18-5-7-19(23-2)8-6-18/h5-8,17H,3-4,9-16H2,1H3