[5-cyano-6-(3,4-dimethoxyphenyl)-5-[(phenylmethyl)amino]oxan-2-yl] ethanoate

Systemtic Name: [5-cyano-6-(3,4-dimethoxyphenyl)-5-[(phenylmethyl)amino]oxan-2-yl] ethanoate Openeye Name: [5-(benzylamino)-5-cyano-6-(3,4-dimethoxyphenyl)tetrahydropyran-2-yl] acetate CAS Name: acetic acid [5-cyano-6-(3,4-dimethoxyphenyl)-5-[(phenylmethyl)amino]-2-oxanyl] ester IUPAC Name: [5-(benzylamino)-5-cyano-6-(3,4-dimethoxyphenyl)oxan-2-yl] acetate Traditional Name: acetic acid [5-(benzylamino)-5-cyano-6-(3,4-dimethoxyphenyl)tetrahydropyran-2-yl] ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(C(O1)C2=CC(=C(C=C2)OC)OC)(C#N)NCC3=CC=CC=C3

Isomeric SMILES

CC(=O)OC1CCC(C(O1)C2=CC(=C(C=C2)OC)OC)(C#N)NCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O5/c1-16(26)29-21-11-12-23(15-24,25-14-17-7-5-4-6-8-17)22(30-21)18-9-10-19(27-2)20(13-18)28-3/h4-10,13,21-22,25H,11-12,14H2,1-3H3