4-(3-indol-1-ylprop-1-ynyl)-2,3-dimethoxy-4-oxidanyl-cyclobut-2-en-1-one

Systemtic Name: 4-(3-indol-1-ylprop-1-ynyl)-2,3-dimethoxy-4-oxidanyl-cyclobut-2-en-1-one Openeye Name: 4-hydroxy-4-(3-indol-1-ylprop-1-ynyl)-2,3-dimethoxy-cyclobut-2-en-1-one CAS Name: 4-hydroxy-4-[3-(1-indolyl)prop-1-ynyl]-2,3-dimethoxy-1-cyclobut-2-enone IUPAC Name: 4-hydroxy-4-(3-indol-1-ylprop-1-ynyl)-2,3-dimethoxycyclobut-2-en-1-one Traditional Name: 4-hydroxy-4-(3-indol-1-ylprop-1-ynyl)-2,3-dimethoxy-cyclobut-2-en-1-one Formula: C17H15NO4 MolecularWeight: 297.3053

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(C1=O)(C#CCN2C=CC3=CC=CC=C32)O)OC

Isomeric SMILES

COC1=C(C(C1=O)(C#CCN2C=CC3=CC=CC=C32)O)OC

InChI

InChI=1S/C17H15NO4/c1-21-14-15(19)17(20,16(14)22-2)9-5-10-18-11-8-12-6-3-4-7-13(12)18/h3-4,6-8,11,20H,10H2,1-2H3