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

Systemtic Name: 1,3-benzodioxol-5-yl (2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: 1,3-benzodioxol-5-yl (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butyric acid 1,3-benzodioxol-5-yl ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H23NO6/c1-4-25-15-7-5-14(6-8-15)20(23)22-19(13(2)3)21(24)28-16-9-10-17-18(11-16)27-12-26-17/h5-11,13,19H,4,12H2,1-3H3,(H,22,23)/t19-/m0/s1