(2S,3R)-3-[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl-5-methyl-2-propyl-hexanamide

Systemtic Name: (2S,3R)-3-[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl-5-methyl-2-propyl-hexanamide Openeye Name: (2S,3R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-5-methyl-2-propyl-hexanamide CAS Name: (2S,3R)-3-[[4-(3-methoxyphenyl)-1-piperazinyl]-oxomethyl]-5-methyl-2-propylhexanamide IUPAC Name: (2S,3R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-5-methyl-2-propylhexanamide Traditional Name: (2S,3R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-5-methyl-2-propyl-hexanamide Formula: C22H35N3O3 MolecularWeight: 389.5316

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)C)C(=O)N1CCN(CC1)C2=CC(=CC=C2)OC)C(=O)N

Isomeric SMILES

CCC[C@@H]([C@@H](CC(C)C)C(=O)N1CCN(CC1)C2=CC(=CC=C2)OC)C(=O)N

InChI

InChI=1S/C22H35N3O3/c1-5-7-19(21(23)26)20(14-16(2)3)22(27)25-12-10-24(11-13-25)17-8-6-9-18(15-17)28-4/h6,8-9,15-16,19-20H,5,7,10-14H2,1-4H3,(H2,23,26)/t19-,20+/m0/s1