methyl 3-[4-(chloromethyl)phenyl]carbonyl-1-(2-ethoxyethyl)indole-4-carboxylate

Systemtic Name: methyl 3-[4-(chloromethyl)phenyl]carbonyl-1-(2-ethoxyethyl)indole-4-carboxylate Openeye Name: methyl 3-[4-(chloromethyl)benzoyl]-1-(2-ethoxyethyl)indole-4-carboxylate CAS Name: 3-[[4-(chloromethyl)phenyl]-oxomethyl]-1-(2-ethoxyethyl)-4-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(chloromethyl)benzoyl]-1-(2-ethoxyethyl)indole-4-carboxylate Traditional Name: 3-[4-(chloromethyl)benzoyl]-1-(2-ethoxyethyl)indole-4-carboxylic acid methyl ester Formula: C22H22ClNO4 MolecularWeight: 399.86738

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C=C(C2=C(C=CC=C21)C(=O)OC)C(=O)C3=CC=C(C=C3)CCl

Isomeric SMILES

CCOCCN1C=C(C2=C(C=CC=C21)C(=O)OC)C(=O)C3=CC=C(C=C3)CCl

InChI

InChI=1S/C22H22ClNO4/c1-3-28-12-11-24-14-18(21(25)16-9-7-15(13-23)8-10-16)20-17(22(26)27-2)5-4-6-19(20)24/h4-10,14H,3,11-13H2,1-2H3