1-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(E)-3-(2,3-dihydrobenzofuran-5-yl)prop-2-enoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(E)-3-(2,3-dihydrobenzofuran-5-yl)-1-oxoprop-2-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(E)-3-coumaran-5-ylacryloyl]proline Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C=CC2=CC3=C(C=C2)OCC3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)/C=C/C2=CC3=C(C=C2)OCC3)C(=O)O

InChI

InChI=1S/C16H17NO4/c18-15(17-8-1-2-13(17)16(19)20)6-4-11-3-5-14-12(10-11)7-9-21-14/h3-6,10,13H,1-2,7-9H2,(H,19,20)/b6-4+