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

Systemtic Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-2-methyl-benzamide Openeye Name: N-[(1S)-1-(1,3-benzodioxol-5-ylcarbamoyl)-2-methyl-propyl]-2-methyl-benzamide CAS Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide IUPAC Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide Traditional Name: N-[(1S)-1-(1,3-benzodioxol-5-ylcarbamoyl)-2-methyl-propyl]-2-methyl-benzamide Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H22N2O4/c1-12(2)18(22-19(23)15-7-5-4-6-13(15)3)20(24)21-14-8-9-16-17(10-14)26-11-25-16/h4-10,12,18H,11H2,1-3H3,(H,21,24)(H,22,23)/t18-/m0/s1