methyl (3R)-3-(1,3-benzodioxol-5-yl)-3-(hexanoylamino)propanoate

Systemtic Name: methyl (3R)-3-(1,3-benzodioxol-5-yl)-3-(hexanoylamino)propanoate Openeye Name: methyl (3R)-3-(1,3-benzodioxol-5-yl)-3-(hexanoylamino)propanoate CAS Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-(1-oxohexylamino)propanoic acid methyl ester IUPAC Name: methyl (3R)-3-(1,3-benzodioxol-5-yl)-3-(hexanoylamino)propanoate Traditional Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-(caproylamino)propionic acid methyl ester Formula: C17H23NO5 MolecularWeight: 321.36822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(CC(=O)OC)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCCCC(=O)N[C@H](CC(=O)OC)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C17H23NO5/c1-3-4-5-6-16(19)18-13(10-17(20)21-2)12-7-8-14-15(9-12)23-11-22-14/h7-9,13H,3-6,10-11H2,1-2H3,(H,18,19)/t13-/m1/s1