N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide

Systemtic Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide Openeye Name: N-[(1S)-1-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-methyl-propyl]-3-methyl-benzamide CAS Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide IUPAC Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide Traditional Name: 3-methyl-N-[(1S)-2-methyl-1-(piperonylcarbamoyl)propyl]benzamide Formula: C21H24N2O4 MolecularWeight: 368.42626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H24N2O4/c1-13(2)19(23-20(24)16-6-4-5-14(3)9-16)21(25)22-11-15-7-8-17-18(10-15)27-12-26-17/h4-10,13,19H,11-12H2,1-3H3,(H,22,25)(H,23,24)/t19-/m0/s1