methyl 5-(2-imidazol-1-yl-3-methyl-indol-1-yl)pentanoate

Systemtic Name: methyl 5-(2-imidazol-1-yl-3-methyl-indol-1-yl)pentanoate Openeye Name: methyl 5-(2-imidazol-1-yl-3-methyl-indol-1-yl)pentanoate CAS Name: 5-[2-(1-imidazolyl)-3-methyl-1-indolyl]pentanoic acid methyl ester IUPAC Name: methyl 5-(2-imidazol-1-yl-3-methylindol-1-yl)pentanoate Traditional Name: 5-(2-imidazol-1-yl-3-methyl-indol-1-yl)valeric acid methyl ester Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2/c1-14-15-7-3-4-8-16(15)21(11-6-5-9-17(22)23-2)18(14)20-12-10-19-13-20/h3-4,7-8,10,12-13H,5-6,9,11H2,1-2H3