(2R)-2-(1-adamantylmethylamino)-N-(1,3-benzodioxol-5-yl)propanamide

Systemtic Name: (2R)-2-(1-adamantylmethylamino)-N-(1,3-benzodioxol-5-yl)propanamide Openeye Name: (2R)-2-(1-adamantylmethylamino)-N-(1,3-benzodioxol-5-yl)propanamide CAS Name: (2R)-2-(1-adamantylmethylamino)-N-(1,3-benzodioxol-5-yl)propanamide IUPAC Name: (2R)-2-(1-adamantylmethylamino)-N-(1,3-benzodioxol-5-yl)propanamide Traditional Name: (2R)-2-(1-adamantylmethylamino)-N-(1,3-benzodioxol-5-yl)propionamide Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)NCC34CC5CC(C3)CC(C5)C4

InChI

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