6-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]carbonyl-2,2-dimethyl-3H-pyran-4-one

Systemtic Name: 6-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]carbonyl-2,2-dimethyl-3H-pyran-4-one Openeye Name: 6-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one CAS Name: 6-[[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-piperidinyl]-oxomethyl]-2,2-dimethyl-3H-pyran-4-one IUPAC Name: 6-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one Traditional Name: 6-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one Formula: C21H26N2O5 MolecularWeight: 386.44154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C=C(O1)C(=O)N2CCCC(C2)NC3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1(CC(=O)C=C(O1)C(=O)N2CCC[C@@H](C2)NC3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C21H26N2O5/c1-21(2)12-16(24)11-19(28-21)20(25)23-7-3-4-15(13-23)22-14-5-6-17-18(10-14)27-9-8-26-17/h5-6,10-11,15,22H,3-4,7-9,12-13H2,1-2H3/t15-/m0/s1