2-[2-(3-carboxylato-1-methyl-indol-2-yl)ethynyl]-1-methyl-indole-3-carboxylate

Systemtic Name: 2-[2-(3-carboxylato-1-methyl-indol-2-yl)ethynyl]-1-methyl-indole-3-carboxylate Openeye Name: 2-[2-(3-carboxylato-1-methyl-indol-2-yl)ethynyl]-1-methyl-indole-3-carboxylate CAS Name: 2-[2-(3-carboxylato-1-methyl-2-indolyl)ethynyl]-1-methyl-3-indolecarboxylate IUPAC Name: 2-[2-(3-carboxylato-1-methylindol-2-yl)ethynyl]-1-methylindole-3-carboxylate Traditional Name: 2-[2-(3-carboxylato-1-methyl-indol-2-yl)ethynyl]-1-methyl-indole-3-carboxylate Formula: C22H14N2O4-2 MolecularWeight: 370.35756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C#CC3=C(C4=CC=CC=C4N3C)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C#CC3=C(C4=CC=CC=C4N3C)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C22H16N2O4/c1-23-15-9-5-3-7-13(15)19(21(25)26)17(23)11-12-18-20(22(27)28)14-8-4-6-10-16(14)24(18)2/h3-10H,1-2H3,(H,25,26)(H,27,28)/p-2