3-(1-adamantyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-methyl-urea

Systemtic Name: 3-(1-adamantyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-methyl-urea Openeye Name: 3-(1-adamantyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-methyl-urea CAS Name: 3-(1-adamantyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-methylurea IUPAC Name: 3-(1-adamantyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-methylurea Traditional Name: 3-(1-adamantyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-methyl-urea Formula: C21H28N2O3 MolecularWeight: 356.45862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(C[C@H]1COC2=CC=CC=C2O1)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H28N2O3/c1-23(12-17-13-25-18-4-2-3-5-19(18)26-17)20(24)22-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-17H,6-13H2,1H3,(H,22,24)/t14?,15?,16?,17-,21?/m0/s1