(7-chloranyl-1,3-benzodioxol-5-yl)methyl (2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl (2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butyric acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C22H24ClNO6 MolecularWeight: 433.88206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C22H24ClNO6/c1-4-27-17-8-6-5-7-15(17)21(25)24-19(13(2)3)22(26)28-11-14-9-16(23)20-18(10-14)29-12-30-20/h5-10,13,19H,4,11-12H2,1-3H3,(H,24,25)/t19-/m0/s1