(2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methyl-butanoate Openeye Name: (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-3-methyl-butyrate Formula: C15H16NO5- MolecularWeight: 290.29124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C=CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)/C=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C15H17NO5/c1-9(2)14(15(18)19)16-13(17)6-4-10-3-5-11-12(7-10)21-8-20-11/h3-7,9,14H,8H2,1-2H3,(H,16,17)(H,18,19)/p-1/b6-4+/t14-/m0/s1