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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)C(=O)N2CCC3(CCN(CC3)C(=O)CCC(=O)O)CC2

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)C(=O)N2CCC3(CCN(CC3)C(=O)CCC(=O)O)CC2

InChI

InChI=1S/C21H25N3O4/c1-22-17-4-2-16(3-5-17)20(28)24-14-10-21(11-15-24)8-12-23(13-9-21)18(25)6-7-19(26)27/h2-5H,6-15H2,(H,26,27)