(2S,3R)-3-[4-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]carbonyl-5-methyl-2-propyl-hexanamide

Systemtic Name: (2S,3R)-3-[4-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]carbonyl-5-methyl-2-propyl-hexanamide Openeye Name: (2S,3R)-3-[4-(1,3-benzodioxol-5-ylamino)piperidine-1-carbonyl]-5-methyl-2-propyl-hexanamide CAS Name: (2S,3R)-3-[[4-(1,3-benzodioxol-5-ylamino)-1-piperidinyl]-oxomethyl]-5-methyl-2-propylhexanamide IUPAC Name: (2S,3R)-3-[4-(1,3-benzodioxol-5-ylamino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide Traditional Name: (2S,3R)-3-[4-(1,3-benzodioxol-5-ylamino)piperidine-1-carbonyl]-5-methyl-2-propyl-hexanamide Formula: C23H35N3O4 MolecularWeight: 417.5417

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)C)C(=O)N1CCC(CC1)NC2=CC3=C(C=C2)OCO3)C(=O)N

Isomeric SMILES

CCC[C@@H]([C@@H](CC(C)C)C(=O)N1CCC(CC1)NC2=CC3=C(C=C2)OCO3)C(=O)N

InChI

InChI=1S/C23H35N3O4/c1-4-5-18(22(24)27)19(12-15(2)3)23(28)26-10-8-16(9-11-26)25-17-6-7-20-21(13-17)30-14-29-20/h6-7,13,15-16,18-19,25H,4-5,8-12,14H2,1-3H3,(H2,24,27)/t18-,19+/m0/s1