[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] (2S,3S)-3-methyl-2-phenyl-pentanoate

Systemtic Name: [(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] (2S,3S)-3-methyl-2-phenyl-pentanoate Openeye Name: [(1S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] (2S,3S)-3-methyl-2-phenyl-pentanoate CAS Name: (2S,3S)-3-methyl-2-phenylpentanoic acid [(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] (2S,3S)-3-methyl-2-phenylpentanoate Traditional Name: (2S,3S)-3-methyl-2-phenyl-valeric acid [(1S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H27NO5 MolecularWeight: 397.46418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC[C@H](C)[C@@H](C1=CC=CC=C1)C(=O)O[C@@H](C)C(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C23H27NO5/c1-4-15(2)21(17-8-6-5-7-9-17)23(26)29-16(3)22(25)24-18-10-11-19-20(14-18)28-13-12-27-19/h5-11,14-16,21H,4,12-13H2,1-3H3,(H,24,25)/t15-,16-,21-/m0/s1