tert-butyl 4-(chloromethyl)-3-(4-methoxyphenyl)indole-1-carboxylate

Systemtic Name: tert-butyl 4-(chloromethyl)-3-(4-methoxyphenyl)indole-1-carboxylate Openeye Name: tert-butyl 4-(chloromethyl)-3-(4-methoxyphenyl)indole-1-carboxylate CAS Name: 4-(chloromethyl)-3-(4-methoxyphenyl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(chloromethyl)-3-(4-methoxyphenyl)indole-1-carboxylate Traditional Name: 4-(chloromethyl)-3-(4-methoxyphenyl)indole-1-carboxylic acid tert-butyl ester Formula: C21H22ClNO3 MolecularWeight: 371.85728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C(C=CC=C21)CCl)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C(C=CC=C21)CCl)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22ClNO3/c1-21(2,3)26-20(24)23-13-17(14-8-10-16(25-4)11-9-14)19-15(12-22)6-5-7-18(19)23/h5-11,13H,12H2,1-4H3