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

Systemtic Name: (E)-4-(1H-indol-3-yl)-3-methoxycarbonyl-but-3-enoic acid Openeye Name: (E)-4-(1H-indol-3-yl)-3-methoxycarbonyl-but-3-enoic acid CAS Name: (E)-4-(1H-indol-3-yl)-3-methoxycarbonyl-3-butenoic acid IUPAC Name: (E)-4-(1H-indol-3-yl)-3-methoxycarbonylbut-3-enoic acid Traditional Name: (E)-3-carbomethoxy-4-(1H-indol-3-yl)but-3-enoic acid Formula: C14H13NO4 MolecularWeight: 259.25732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CNC2=CC=CC=C21)CC(=O)O

Isomeric SMILES

COC(=O)/C(=C/C1=CNC2=CC=CC=C21)/CC(=O)O

InChI

InChI=1S/C14H13NO4/c1-19-14(18)9(7-13(16)17)6-10-8-15-12-5-3-2-4-11(10)12/h2-6,8,15H,7H2,1H3,(H,16,17)/b9-6+