tert-butyl 2-(4-chlorophenyl)carbonyl-6-methyl-3-(2-methylpropanoyloxy)indole-1-carboxylate

Systemtic Name: tert-butyl 2-(4-chlorophenyl)carbonyl-6-methyl-3-(2-methylpropanoyloxy)indole-1-carboxylate Openeye Name: tert-butyl 2-(4-chlorobenzoyl)-6-methyl-3-(2-methylpropanoyloxy)indole-1-carboxylate CAS Name: 2-[(4-chlorophenyl)-oxomethyl]-6-methyl-3-(2-methyl-1-oxopropoxy)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-chlorobenzoyl)-6-methyl-3-(2-methylpropanoyloxy)indole-1-carboxylate Traditional Name: 2-(4-chlorobenzoyl)-3-isobutyryloxy-6-methyl-indole-1-carboxylic acid tert-butyl ester Formula: C25H26ClNO5 MolecularWeight: 455.93064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N2C(=O)OC(C)(C)C)C(=O)C3=CC=C(C=C3)Cl)OC(=O)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2C(=O)OC(C)(C)C)C(=O)C3=CC=C(C=C3)Cl)OC(=O)C(C)C

InChI

InChI=1S/C25H26ClNO5/c1-14(2)23(29)31-22-18-12-7-15(3)13-19(18)27(24(30)32-25(4,5)6)20(22)21(28)16-8-10-17(26)11-9-16/h7-14H,1-6H3