1-[(E)-4-(1-methylindol-3-yl)-4-oxidanylidene-but-2-enoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(E)-4-(1-methylindol-3-yl)-4-oxidanylidene-but-2-enoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(E)-4-(1-methylindol-3-yl)-4-oxo-but-2-enoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(E)-4-(1-methyl-3-indolyl)-1,4-dioxobut-2-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(E)-4-(1-methylindol-3-yl)-4-oxobut-2-enoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(E)-4-keto-4-(1-methylindol-3-yl)but-2-enoyl]proline Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)C=CC(=O)N3CCCC3C(=O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)/C=C/C(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C18H18N2O4/c1-19-11-13(12-5-2-3-6-14(12)19)16(21)8-9-17(22)20-10-4-7-15(20)18(23)24/h2-3,5-6,8-9,11,15H,4,7,10H2,1H3,(H,23,24)/b9-8+