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

Systemtic Name: methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methyl-prop-2-enoyl]amino]-3-methyl-butanoate Openeye Name: methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methyl-prop-2-enoyl]amino]-3-methyl-butanoate CAS Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methyl-1-oxoprop-2-enyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoyl]amino]-3-methylbutanoate Traditional Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methyl-acryloyl]amino]-3-methyl-butyric acid methyl ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C(=CC1=CC2=C(C=C1)OCO2)C

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)/C(=C/C1=CC2=C(C=C1)OCO2)/C

InChI

InChI=1S/C17H21NO5/c1-10(2)15(17(20)21-4)18-16(19)11(3)7-12-5-6-13-14(8-12)23-9-22-13/h5-8,10,15H,9H2,1-4H3,(H,18,19)/b11-7+