ethyl 8-(2-imidazol-1-yl-3-methyl-indol-1-yl)octanoate

Systemtic Name: ethyl 8-(2-imidazol-1-yl-3-methyl-indol-1-yl)octanoate Openeye Name: ethyl 8-(2-imidazol-1-yl-3-methyl-indol-1-yl)octanoate CAS Name: 8-[2-(1-imidazolyl)-3-methyl-1-indolyl]octanoic acid ethyl ester IUPAC Name: ethyl 8-(2-imidazol-1-yl-3-methylindol-1-yl)octanoate Traditional Name: 8-(2-imidazol-1-yl-3-methyl-indol-1-yl)caprylic acid ethyl ester Formula: C22H29N3O2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCCN1C2=CC=CC=C2C(=C1N3C=CN=C3)C

Isomeric SMILES

CCOC(=O)CCCCCCCN1C2=CC=CC=C2C(=C1N3C=CN=C3)C

InChI

InChI=1S/C22H29N3O2/c1-3-27-21(26)13-7-5-4-6-10-15-25-20-12-9-8-11-19(20)18(2)22(25)24-16-14-23-17-24/h8-9,11-12,14,16-17H,3-7,10,13,15H2,1-2H3