(E)-3-methoxycarbonyl-4-(1-methylindol-3-yl)but-3-enoic acid

Systemtic Name: (E)-3-methoxycarbonyl-4-(1-methylindol-3-yl)but-3-enoic acid Openeye Name: (E)-3-methoxycarbonyl-4-(1-methylindol-3-yl)but-3-enoic acid CAS Name: (E)-3-methoxycarbonyl-4-(1-methyl-3-indolyl)-3-butenoic acid IUPAC Name: (E)-3-methoxycarbonyl-4-(1-methylindol-3-yl)but-3-enoic acid Traditional Name: (E)-3-carbomethoxy-4-(1-methylindol-3-yl)but-3-enoic acid Formula: C15H15NO4 MolecularWeight: 273.2839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)/C=C(\CC(=O)O)/C(=O)OC

InChI

InChI=1S/C15H15NO4/c1-16-9-11(12-5-3-4-6-13(12)16)7-10(8-14(17)18)15(19)20-2/h3-7,9H,8H2,1-2H3,(H,17,18)/b10-7+