4-(3-methyl-2-pyridin-3-yl-indol-1-yl)but-2-ynoic acid

Systemtic Name: 4-(3-methyl-2-pyridin-3-yl-indol-1-yl)but-2-ynoic acid Openeye Name: 4-[3-methyl-2-(3-pyridyl)indol-1-yl]but-2-ynoic acid CAS Name: 4-[3-methyl-2-(3-pyridinyl)-1-indolyl]-2-butynoic acid IUPAC Name: 4-(3-methyl-2-pyridin-3-ylindol-1-yl)but-2-ynoic acid Traditional Name: 4-[3-methyl-2-(3-pyridyl)indol-1-yl]but-2-ynoic acid Formula: C18H14N2O2 MolecularWeight: 290.31596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CC#CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)CC#CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C18H14N2O2/c1-13-15-7-2-3-8-16(15)20(11-5-9-17(21)22)18(13)14-6-4-10-19-12-14/h2-4,6-8,10,12H,11H2,1H3,(H,21,22)