tert-butyl 2-(4-chlorophenyl)carbonyl-3-(1-methoxy-1-oxidanylidene-propan-2-yl)-6-methyl-indole-1-carboxylate

Systemtic Name: tert-butyl 2-(4-chlorophenyl)carbonyl-3-(1-methoxy-1-oxidanylidene-propan-2-yl)-6-methyl-indole-1-carboxylate Openeye Name: tert-butyl 2-(4-chlorobenzoyl)-3-(2-methoxy-1-methyl-2-oxo-ethyl)-6-methyl-indole-1-carboxylate CAS Name: 2-[(4-chlorophenyl)-oxomethyl]-3-(1-methoxy-1-oxopropan-2-yl)-6-methyl-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-chlorobenzoyl)-3-(1-methoxy-1-oxopropan-2-yl)-6-methylindole-1-carboxylate Traditional Name: 2-(4-chlorobenzoyl)-3-(2-keto-2-methoxy-1-methyl-ethyl)-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)C(C)C(=O)OC

Isomeric SMILES

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

InChI

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