methyl 1-(2-chloroethyl)-3-(imidazol-1-ylmethyl)indole-6-carboxylate

Systemtic Name: methyl 1-(2-chloroethyl)-3-(imidazol-1-ylmethyl)indole-6-carboxylate Openeye Name: methyl 1-(2-chloroethyl)-3-(imidazol-1-ylmethyl)indole-6-carboxylate CAS Name: 1-(2-chloroethyl)-3-(1-imidazolylmethyl)-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-chloroethyl)-3-(imidazol-1-ylmethyl)indole-6-carboxylate Traditional Name: 1-(2-chloroethyl)-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid methyl ester Formula: C16H16ClN3O2 MolecularWeight: 317.77014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=CN2CCCl)CN3C=CN=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=CN2CCCl)CN3C=CN=C3

InChI

InChI=1S/C16H16ClN3O2/c1-22-16(21)12-2-3-14-13(9-19-7-5-18-11-19)10-20(6-4-17)15(14)8-12/h2-3,5,7-8,10-11H,4,6,9H2,1H3