2-[[9-(4-cyanophenyl)carbonyl-11-azaspiro[5.5]undecan-3-yl]methyl]butanoic acid

Systemtic Name: 2-[[9-(4-cyanophenyl)carbonyl-11-azaspiro[5.5]undecan-3-yl]methyl]butanoic acid Openeye Name: 2-[[9-(4-cyanobenzoyl)-11-azaspiro[5.5]undecan-3-yl]methyl]butanoic acid CAS Name: 2-[[9-[(4-cyanophenyl)-oxomethyl]-11-azaspiro[5.5]undecan-3-yl]methyl]butanoic acid IUPAC Name: 2-[[9-(4-cyanobenzoyl)-11-azaspiro[5.5]undecan-3-yl]methyl]butanoic acid Traditional Name: 2-[[9-(4-cyanobenzoyl)-11-azaspiro[5.5]undecan-3-yl]methyl]butyric acid Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1CCC2(CC1)CCC(CN2)C(=O)C3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

CCC(CC1CCC2(CC1)CCC(CN2)C(=O)C3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C23H30N2O3/c1-2-18(22(27)28)13-16-7-10-23(11-8-16)12-9-20(15-25-23)21(26)19-5-3-17(14-24)4-6-19/h3-6,16,18,20,25H,2,7-13,15H2,1H3,(H,27,28)