4-[2-(4-isocyanophenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-(4-isocyanophenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(4-isocyanophenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]-4-oxo-butanoic acid CAS Name: 4-[2-(4-isocyanophenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]-4-oxobutanoic acid IUPAC Name: 4-[2-(4-isocyanophenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]-4-oxobutanoic acid Traditional Name: 4-[2-(4-isocyanophenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]-4-keto-butyric acid Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)C2=NOC3(C2)CCN(CC3)C(=O)CCC(=O)O

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)C2=NOC3(C2)CCN(CC3)C(=O)CCC(=O)O

InChI

InChI=1S/C18H19N3O4/c1-19-14-4-2-13(3-5-14)15-12-18(25-20-15)8-10-21(11-9-18)16(22)6-7-17(23)24/h2-5H,6-12H2,(H,23,24)