(2R)-N-(1-adamantyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide

Systemtic Name: (2R)-N-(1-adamantyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide CAS Name: (2R)-N-(1-adamantyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide Traditional Name: (2R)-N-(1-adamantyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propionamide Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H28N2O3/c1-13(22-17-2-3-18-19(9-17)26-5-4-25-18)20(24)23-21-10-14-6-15(11-21)8-16(7-14)12-21/h2-3,9,13-16,22H,4-8,10-12H2,1H3,(H,23,24)/t13-,14?,15?,16?,21?/m1/s1