1,3-benzodioxol-5-ylmethyl (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: 1,3-benzodioxol-5-ylmethyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid piperonyl ester Formula: C24H29NO5 MolecularWeight: 411.49076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C24H29NO5/c1-15(2)21(25-22(26)17-7-9-18(10-8-17)24(3,4)5)23(27)28-13-16-6-11-19-20(12-16)30-14-29-19/h6-12,15,21H,13-14H2,1-5H3,(H,25,26)/t21-/m0/s1