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

Systemtic Name: 1,3-benzodioxol-5-yl (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: 1,3-benzodioxol-5-yl (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-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid 1,3-benzodioxol-5-yl ester Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO5/c1-14(2)20(22(26)29-17-10-11-18-19(12-17)28-13-27-18)24-21(25)15-6-8-16(9-7-15)23(3,4)5/h6-12,14,20H,13H2,1-5H3,(H,24,25)/t20-/m0/s1