methyl 4-(2-imidazol-1-yl-3-methyl-indol-1-yl)but-2-ynoate

Systemtic Name: methyl 4-(2-imidazol-1-yl-3-methyl-indol-1-yl)but-2-ynoate Openeye Name: methyl 4-(2-imidazol-1-yl-3-methyl-indol-1-yl)but-2-ynoate CAS Name: 4-[2-(1-imidazolyl)-3-methyl-1-indolyl]-2-butynoic acid methyl ester IUPAC Name: methyl 4-(2-imidazol-1-yl-3-methylindol-1-yl)but-2-ynoate Traditional Name: 4-(2-imidazol-1-yl-3-methyl-indol-1-yl)but-2-ynoic acid methyl ester Formula: C17H15N3O2 MolecularWeight: 293.3199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CC#CC(=O)OC)N3C=CN=C3

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)CC#CC(=O)OC)N3C=CN=C3

InChI

InChI=1S/C17H15N3O2/c1-13-14-6-3-4-7-15(14)20(10-5-8-16(21)22-2)17(13)19-11-9-18-12-19/h3-4,6-7,9,11-12H,10H2,1-2H3