2-[9-(4-cyanophenyl)carbonyl-10-azaspiro[5.5]undecan-3-yl]butanoic acid

Systemtic Name: 2-[9-(4-cyanophenyl)carbonyl-10-azaspiro[5.5]undecan-3-yl]butanoic acid Openeye Name: 2-[9-(4-cyanobenzoyl)-10-azaspiro[5.5]undecan-3-yl]butanoic acid CAS Name: 2-[9-[(4-cyanophenyl)-oxomethyl]-10-azaspiro[5.5]undecan-3-yl]butanoic acid IUPAC Name: 2-[9-(4-cyanobenzoyl)-10-azaspiro[5.5]undecan-3-yl]butanoic acid Traditional Name: 2-[9-(4-cyanobenzoyl)-10-azaspiro[5.5]undecan-3-yl]butyric acid Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCC2(CC1)CCC(NC2)C(=O)C3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

CCC(C1CCC2(CC1)CCC(NC2)C(=O)C3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C22H28N2O3/c1-2-18(21(26)27)16-7-10-22(11-8-16)12-9-19(24-14-22)20(25)17-5-3-15(13-23)4-6-17/h3-6,16,18-19,24H,2,7-12,14H2,1H3,(H,26,27)