1,3-benzodioxol-5-yl (2S,3S)-2-benzamido-3-methyl-pentanoate

Systemtic Name: 1,3-benzodioxol-5-yl (2S,3S)-2-benzamido-3-methyl-pentanoate Openeye Name: 1,3-benzodioxol-5-yl (2S,3S)-2-benzamido-3-methyl-pentanoate CAS Name: (2S,3S)-2-benzamido-3-methylpentanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (2S,3S)-2-benzamido-3-methylpentanoate Traditional Name: (2S,3S)-2-benzamido-3-methyl-valeric acid 1,3-benzodioxol-5-yl ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO5/c1-3-13(2)18(21-19(22)14-7-5-4-6-8-14)20(23)26-15-9-10-16-17(11-15)25-12-24-16/h4-11,13,18H,3,12H2,1-2H3,(H,21,22)/t13-,18-/m0/s1