tert-butyl 4-[1-(4-chlorophenyl)-5-methoxy-2-methyl-indol-3-yl]-2-methyl-3-oxidanylidene-butanoate

Systemtic Name: tert-butyl 4-[1-(4-chlorophenyl)-5-methoxy-2-methyl-indol-3-yl]-2-methyl-3-oxidanylidene-butanoate Openeye Name: tert-butyl 4-[1-(4-chlorophenyl)-5-methoxy-2-methyl-indol-3-yl]-2-methyl-3-oxo-butanoate CAS Name: 4-[1-(4-chlorophenyl)-5-methoxy-2-methyl-3-indolyl]-2-methyl-3-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-chlorophenyl)-5-methoxy-2-methylindol-3-yl]-2-methyl-3-oxobutanoate Traditional Name: 4-[1-(4-chlorophenyl)-5-methoxy-2-methyl-indol-3-yl]-3-keto-2-methyl-butyric acid tert-butyl ester Formula: C25H28ClNO4 MolecularWeight: 441.94712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)C(C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C2=C(N1C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)C(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H28ClNO4/c1-15(24(29)31-25(3,4)5)23(28)14-20-16(2)27(18-9-7-17(26)8-10-18)22-12-11-19(30-6)13-21(20)22/h7-13,15H,14H2,1-6H3