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

Systemtic Name: 1,3-benzodioxol-5-yl (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: 1,3-benzodioxol-5-yl (2S)-2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(p-anisoylamino)butyric acid 1,3-benzodioxol-5-yl ester Formula: C20H21NO6 MolecularWeight: 371.38384

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6/c1-12(2)18(21-19(22)13-4-6-14(24-3)7-5-13)20(23)27-15-8-9-16-17(10-15)26-11-25-16/h4-10,12,18H,11H2,1-3H3,(H,21,22)/t18-/m0/s1