2-[1-[4-(3,3-dimethylbutoxy)phenyl]carbonyl-2-methyl-indol-4-yl]ethanoic acid

Systemtic Name: 2-[1-[4-(3,3-dimethylbutoxy)phenyl]carbonyl-2-methyl-indol-4-yl]ethanoic acid Openeye Name: 2-[1-[4-(3,3-dimethylbutoxy)benzoyl]-2-methyl-indol-4-yl]acetic acid CAS Name: 2-[1-[[4-(3,3-dimethylbutoxy)phenyl]-oxomethyl]-2-methyl-4-indolyl]acetic acid IUPAC Name: 2-[1-[4-(3,3-dimethylbutoxy)benzoyl]-2-methylindol-4-yl]acetic acid Traditional Name: 2-[1-[4-(3,3-dimethylbutoxy)benzoyl]-2-methyl-indol-4-yl]acetic acid Formula: C24H27NO4 MolecularWeight: 393.47548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCCC(C)(C)C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCCC(C)(C)C)CC(=O)O

InChI

InChI=1S/C24H27NO4/c1-16-14-20-18(15-22(26)27)6-5-7-21(20)25(16)23(28)17-8-10-19(11-9-17)29-13-12-24(2,3)4/h5-11,14H,12-13,15H2,1-4H3,(H,26,27)