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

Systemtic Name: 2-[9-(4-cyanophenyl)carbonyl-9-azaspiro[5.5]undecan-3-yl]propanoic acid Openeye Name: 2-[9-(4-cyanobenzoyl)-9-azaspiro[5.5]undecan-3-yl]propanoic acid CAS Name: 2-[9-[(4-cyanophenyl)-oxomethyl]-9-azaspiro[5.5]undecan-3-yl]propanoic acid IUPAC Name: 2-[9-(4-cyanobenzoyl)-9-azaspiro[5.5]undecan-3-yl]propanoic acid Traditional Name: 2-[9-(4-cyanobenzoyl)-9-azaspiro[5.5]undecan-3-yl]propionic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2(CC1)CCN(CC2)C(=O)C3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

CC(C1CCC2(CC1)CCN(CC2)C(=O)C3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C21H26N2O3/c1-15(20(25)26)17-6-8-21(9-7-17)10-12-23(13-11-21)19(24)18-4-2-16(14-22)3-5-18/h2-5,15,17H,6-13H2,1H3,(H,25,26)