(phenylmethyl) 2-(4-isocyanophenyl)-3-oxidanylidene-4-oxa-2,8-diazaspiro[4.5]decane-8-carboxylate

Systemtic Name: (phenylmethyl) 2-(4-isocyanophenyl)-3-oxidanylidene-4-oxa-2,8-diazaspiro[4.5]decane-8-carboxylate Openeye Name: benzyl 2-(4-isocyanophenyl)-3-oxo-4-oxa-2,8-diazaspiro[4.5]decane-8-carboxylate CAS Name: 2-(4-isocyanophenyl)-3-oxo-4-oxa-2,8-diazaspiro[4.5]decane-8-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-isocyanophenyl)-3-oxo-4-oxa-2,8-diazaspiro[4.5]decane-8-carboxylate Traditional Name: 2-(4-isocyanophenyl)-3-keto-4-oxa-2,8-diazaspiro[4.5]decane-8-carboxylic acid benzyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)N2CC3(CCN(CC3)C(=O)OCC4=CC=CC=C4)OC2=O

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)N2CC3(CCN(CC3)C(=O)OCC4=CC=CC=C4)OC2=O

InChI

InChI=1S/C22H21N3O4/c1-23-18-7-9-19(10-8-18)25-16-22(29-21(25)27)11-13-24(14-12-22)20(26)28-15-17-5-3-2-4-6-17/h2-10H,11-16H2