2-[2-(3-ethoxy-4-methoxy-phenyl)-5-propan-2-yl-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(3-ethoxy-4-methoxy-phenyl)-5-propan-2-yl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(3-ethoxy-4-methoxy-phenyl)-5-isopropyl-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(3-ethoxy-4-methoxyphenyl)-5-propan-2-yl-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(3-ethoxy-4-methoxyphenyl)-5-propan-2-yl-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(3-ethoxy-4-methoxy-phenyl)-5-isopropyl-1H-indol-3-yl]acetic acid Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(C)C)CC(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(C)C)CC(=O)O)OC

InChI

InChI=1S/C22H25NO4/c1-5-27-20-11-15(7-9-19(20)26-4)22-17(12-21(24)25)16-10-14(13(2)3)6-8-18(16)23-22/h6-11,13,23H,5,12H2,1-4H3,(H,24,25)