ethyl 3-[9-(4-isocyanophenyl)carbonyl-9-azaspiro[5.5]undecan-3-yl]propanoate

Systemtic Name: ethyl 3-[9-(4-isocyanophenyl)carbonyl-9-azaspiro[5.5]undecan-3-yl]propanoate Openeye Name: ethyl 3-[9-(4-isocyanobenzoyl)-9-azaspiro[5.5]undecan-3-yl]propanoate CAS Name: 3-[9-[(4-isocyanophenyl)-oxomethyl]-9-azaspiro[5.5]undecan-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[9-(4-isocyanobenzoyl)-9-azaspiro[5.5]undecan-3-yl]propanoate Traditional Name: 3-[9-(4-isocyanobenzoyl)-9-azaspiro[5.5]undecan-3-yl]propionic acid ethyl ester Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1CCC2(CC1)CCN(CC2)C(=O)C3=CC=C(C=C3)[N+]#[C-]

Isomeric SMILES

CCOC(=O)CCC1CCC2(CC1)CCN(CC2)C(=O)C3=CC=C(C=C3)[N+]#[C-]

InChI

InChI=1S/C23H30N2O3/c1-3-28-21(26)9-4-18-10-12-23(13-11-18)14-16-25(17-15-23)22(27)19-5-7-20(24-2)8-6-19/h5-8,18H,3-4,9-17H2,1H3