2-[1-(3,3-diethoxypropyl)-2,3,3-trimethyl-2H-indol-5-yl]ethanoic acid

Systemtic Name: 2-[1-(3,3-diethoxypropyl)-2,3,3-trimethyl-2H-indol-5-yl]ethanoic acid Openeye Name: 2-[1-(3,3-diethoxypropyl)-2,3,3-trimethyl-indolin-5-yl]acetic acid CAS Name: 2-[1-(3,3-diethoxypropyl)-2,3,3-trimethyl-2H-indol-5-yl]acetic acid IUPAC Name: 2-[1-(3,3-diethoxypropyl)-2,3,3-trimethyl-2H-indol-5-yl]acetic acid Traditional Name: 2-[1-(3,3-diethoxypropyl)-2,3,3-trimethyl-indolin-5-yl]acetic acid Formula: C20H31NO4 MolecularWeight: 349.46444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCN1C(C(C2=C1C=CC(=C2)CC(=O)O)(C)C)C)OCC

Isomeric SMILES

CCOC(CCN1C(C(C2=C1C=CC(=C2)CC(=O)O)(C)C)C)OCC

InChI

InChI=1S/C20H31NO4/c1-6-24-19(25-7-2)10-11-21-14(3)20(4,5)16-12-15(13-18(22)23)8-9-17(16)21/h8-9,12,14,19H,6-7,10-11,13H2,1-5H3,(H,22,23)