2-[9-(4-cyanophenyl)carbonyl-9-azaspiro[5.5]undecan-3-yl]-2-methyl-butanoate

Systemtic Name: 2-[9-(4-cyanophenyl)carbonyl-9-azaspiro[5.5]undecan-3-yl]-2-methyl-butanoate Openeye Name: 2-[9-(4-cyanobenzoyl)-9-azaspiro[5.5]undecan-3-yl]-2-methyl-butanoate CAS Name: 2-[9-[(4-cyanophenyl)-oxomethyl]-9-azaspiro[5.5]undecan-3-yl]-2-methylbutanoate IUPAC Name: 2-[9-(4-cyanobenzoyl)-9-azaspiro[5.5]undecan-3-yl]-2-methylbutanoate Traditional Name: 2-[9-(4-cyanobenzoyl)-9-azaspiro[5.5]undecan-3-yl]-2-methyl-butyrate Formula: C23H29N2O3- MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C1CCC2(CC1)CCN(CC2)C(=O)C3=CC=C(C=C3)C#N)C(=O)[O-]

Isomeric SMILES

CCC(C)(C1CCC2(CC1)CCN(CC2)C(=O)C3=CC=C(C=C3)C#N)C(=O)[O-]

InChI

InChI=1S/C23H30N2O3/c1-3-22(2,21(27)28)19-8-10-23(11-9-19)12-14-25(15-13-23)20(26)18-6-4-17(16-24)5-7-18/h4-7,19H,3,8-15H2,1-2H3,(H,27,28)/p-1