methyl 1-(3-chloranylpropyl)-3-(imidazol-1-ylmethyl)indole-6-carboxylate

Systemtic Name: methyl 1-(3-chloranylpropyl)-3-(imidazol-1-ylmethyl)indole-6-carboxylate Openeye Name: methyl 1-(3-chloropropyl)-3-(imidazol-1-ylmethyl)indole-6-carboxylate CAS Name: 1-(3-chloropropyl)-3-(1-imidazolylmethyl)-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-chloropropyl)-3-(imidazol-1-ylmethyl)indole-6-carboxylate Traditional Name: 1-(3-chloropropyl)-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid methyl ester Formula: C17H18ClN3O2 MolecularWeight: 331.79672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=CN2CCCCl)CN3C=CN=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=CN2CCCCl)CN3C=CN=C3

InChI

InChI=1S/C17H18ClN3O2/c1-23-17(22)13-3-4-15-14(10-20-8-6-19-12-20)11-21(7-2-5-18)16(15)9-13/h3-4,6,8-9,11-12H,2,5,7,10H2,1H3