2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[(E)-3-(2,3-dihydrobenzofuran-5-yl)prop-2-enoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[(E)-3-(2,3-dihydrobenzofuran-5-yl)-1-oxoprop-2-enyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[(E)-3-coumaran-5-ylacryloyl]amino]-3-methyl-butyric acid Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C=CC1=CC2=C(C=C1)OCC2

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)/C=C/C1=CC2=C(C=C1)OCC2

InChI

InChI=1S/C16H19NO4/c1-10(2)15(16(19)20)17-14(18)6-4-11-3-5-13-12(9-11)7-8-21-13/h3-6,9-10,15H,7-8H2,1-2H3,(H,17,18)(H,19,20)/b6-4+