(2S,3R)-5-methyl-3-(3-phenylazanylpiperidin-1-yl)carbonyl-2-propyl-hexanamide

Systemtic Name: (2S,3R)-5-methyl-3-(3-phenylazanylpiperidin-1-yl)carbonyl-2-propyl-hexanamide Openeye Name: (2S,3R)-3-(3-anilinopiperidine-1-carbonyl)-5-methyl-2-propyl-hexanamide CAS Name: (2S,3R)-3-[(3-anilino-1-piperidinyl)-oxomethyl]-5-methyl-2-propylhexanamide IUPAC Name: (2S,3R)-3-(3-anilinopiperidine-1-carbonyl)-5-methyl-2-propylhexanamide Traditional Name: (2S,3R)-3-(3-anilinopiperidine-1-carbonyl)-5-methyl-2-propyl-hexanamide Formula: C22H35N3O2 MolecularWeight: 373.5322

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)C)C(=O)N1CCCC(C1)NC2=CC=CC=C2)C(=O)N

Isomeric SMILES

CCC[C@@H]([C@@H](CC(C)C)C(=O)N1CCCC(C1)NC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C22H35N3O2/c1-4-9-19(21(23)26)20(14-16(2)3)22(27)25-13-8-12-18(15-25)24-17-10-6-5-7-11-17/h5-7,10-11,16,18-20,24H,4,8-9,12-15H2,1-3H3,(H2,23,26)/t18?,19-,20+/m0/s1