1,3-benzodioxol-5-ylmethyl (2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl (2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoate Openeye Name: 1,3-benzodioxol-5-ylmethyl (2S)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]butanoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butyric acid piperonyl ester Formula: C25H25NO5 MolecularWeight: 419.4697

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC2=C(C=C1)OCO2)NC(=O)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC2=C(C=C1)OCO2)NC(=O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H25NO5/c1-16(2)24(25(28)29-14-17-10-11-21-22(12-17)31-15-30-21)26-23(27)13-19-8-5-7-18-6-3-4-9-20(18)19/h3-12,16,24H,13-15H2,1-2H3,(H,26,27)/t24-/m0/s1