2-[4-chloranyl-2-(3,4-diethoxyphenyl)-7-methyl-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[4-chloranyl-2-(3,4-diethoxyphenyl)-7-methyl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[4-chloro-2-(3,4-diethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid CAS Name: 2-[4-chloro-2-(3,4-diethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid IUPAC Name: 2-[4-chloro-2-(3,4-diethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid Traditional Name: 2-[4-chloro-2-(3,4-diethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C(C3=C(C=CC(=C3N2)C)Cl)CC(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C(C3=C(C=CC(=C3N2)C)Cl)CC(=O)O)OCC

InChI

InChI=1S/C21H22ClNO4/c1-4-26-16-9-7-13(10-17(16)27-5-2)21-14(11-18(24)25)19-15(22)8-6-12(3)20(19)23-21/h6-10,23H,4-5,11H2,1-3H3,(H,24,25)