methyl (2R)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-4-methyl-valeric acid methyl ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c1-11(2)8-13(17(20)21-3)18-16(19)7-5-12-4-6-14-15(9-12)23-10-22-14/h4-7,9,11,13H,8,10H2,1-3H3,(H,18,19)/b7-5+/t13-/m1/s1