3,3-dimethylbutyl 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate

Systemtic Name: 3,3-dimethylbutyl 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate Openeye Name: 3,3-dimethylbutyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetic acid 3,3-dimethylbutyl ester IUPAC Name: 3,3-dimethylbutyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate Traditional Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid 3,3-dimethylbutyl ester Formula: C25H28ClNO4 MolecularWeight: 441.94712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCCC(C)(C)C

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCCC(C)(C)C

InChI

InChI=1S/C25H28ClNO4/c1-16-20(15-23(28)31-13-12-25(2,3)4)21-14-19(30-5)10-11-22(21)27(16)24(29)17-6-8-18(26)9-7-17/h6-11,14H,12-13,15H2,1-5H3