4-[9-(4-cyanophenyl)carbonyl-3,9-diazaspiro[5.5]undecan-3-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[9-(4-cyanophenyl)carbonyl-3,9-diazaspiro[5.5]undecan-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[9-(4-cyanobenzoyl)-3,9-diazaspiro[5.5]undecan-3-yl]-4-oxo-butanoic acid CAS Name: 4-[9-[(4-cyanophenyl)-oxomethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-oxobutanoic acid IUPAC Name: 4-[9-(4-cyanobenzoyl)-3,9-diazaspiro[5.5]undecan-3-yl]-4-oxobutanoic acid Traditional Name: 4-[9-(4-cyanobenzoyl)-3,9-diazaspiro[5.5]undecan-3-yl]-4-keto-butyric acid Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12CCN(CC2)C(=O)C3=CC=C(C=C3)C#N)C(=O)CCC(=O)O

Isomeric SMILES

C1CN(CCC12CCN(CC2)C(=O)C3=CC=C(C=C3)C#N)C(=O)CCC(=O)O

InChI

InChI=1S/C21H25N3O4/c22-15-16-1-3-17(4-2-16)20(28)24-13-9-21(10-14-24)7-11-23(12-8-21)18(25)5-6-19(26)27/h1-4H,5-14H2,(H,26,27)