methyl (E)-8-(2-imidazol-1-yl-3-methyl-indol-1-yl)oct-2-enoate

Systemtic Name: methyl (E)-8-(2-imidazol-1-yl-3-methyl-indol-1-yl)oct-2-enoate Openeye Name: methyl (E)-8-(2-imidazol-1-yl-3-methyl-indol-1-yl)oct-2-enoate CAS Name: (E)-8-[2-(1-imidazolyl)-3-methyl-1-indolyl]-2-octenoic acid methyl ester IUPAC Name: methyl (E)-8-(2-imidazol-1-yl-3-methylindol-1-yl)oct-2-enoate Traditional Name: (E)-8-(2-imidazol-1-yl-3-methyl-indol-1-yl)oct-2-enoic acid methyl ester Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2/c1-17-18-10-7-8-11-19(18)24(21(17)23-15-13-22-16-23)14-9-5-3-4-6-12-20(25)26-2/h6-8,10-13,15-16H,3-5,9,14H2,1-2H3/b12-6+