[6-(1,3-benzodioxol-5-yl)-5-cyano-5-[(phenylmethyl)amino]oxan-2-yl] ethanoate

Systemtic Name: [6-(1,3-benzodioxol-5-yl)-5-cyano-5-[(phenylmethyl)amino]oxan-2-yl] ethanoate Openeye Name: [6-(1,3-benzodioxol-5-yl)-5-(benzylamino)-5-cyano-tetrahydropyran-2-yl] acetate CAS Name: acetic acid [6-(1,3-benzodioxol-5-yl)-5-cyano-5-[(phenylmethyl)amino]-2-oxanyl] ester IUPAC Name: [6-(1,3-benzodioxol-5-yl)-5-(benzylamino)-5-cyanooxan-2-yl] acetate Traditional Name: acetic acid [6-(1,3-benzodioxol-5-yl)-5-(benzylamino)-5-cyano-tetrahydropyran-2-yl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(C(O1)C2=CC3=C(C=C2)OCO3)(C#N)NCC4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1CCC(C(O1)C2=CC3=C(C=C2)OCO3)(C#N)NCC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O5/c1-15(25)28-20-9-10-22(13-23,24-12-16-5-3-2-4-6-16)21(29-20)17-7-8-18-19(11-17)27-14-26-18/h2-8,11,20-21,24H,9-10,12,14H2,1H3