(phenylmethyl) 3-(4-isocyanophenyl)-2,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate

Systemtic Name: (phenylmethyl) 3-(4-isocyanophenyl)-2,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate Openeye Name: benzyl 3-(4-isocyanophenyl)-2,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate CAS Name: 3-(4-isocyanophenyl)-2,4-dioxa-8-azaspiro[4.5]decane-8-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(4-isocyanophenyl)-2,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate Traditional Name: 3-(4-isocyanophenyl)-2,4-dioxa-8-azaspiro[4.5]decane-8-carboxylic acid benzyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)C2OCC3(O2)CCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)C2OCC3(O2)CCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O4/c1-23-19-9-7-18(8-10-19)20-27-16-22(28-20)11-13-24(14-12-22)21(25)26-15-17-5-3-2-4-6-17/h2-10,20H,11-16H2