ethyl (2S)-3-[4-[2-(2,5-dimethylpyrrol-1-yl)ethoxy]phenyl]-2-ethoxy-propanoate

Systemtic Name: ethyl (2S)-3-[4-[2-(2,5-dimethylpyrrol-1-yl)ethoxy]phenyl]-2-ethoxy-propanoate Openeye Name: ethyl (2S)-3-[4-[2-(2,5-dimethylpyrrol-1-yl)ethoxy]phenyl]-2-ethoxy-propanoate CAS Name: (2S)-3-[4-[2-(2,5-dimethyl-1-pyrrolyl)ethoxy]phenyl]-2-ethoxypropanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-[4-[2-(2,5-dimethylpyrrol-1-yl)ethoxy]phenyl]-2-ethoxypropanoate Traditional Name: (2S)-3-[4-[2-(2,5-dimethylpyrrol-1-yl)ethoxy]phenyl]-2-ethoxy-propionic acid ethyl ester Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN2C(=CC=C2C)C)C(=O)OCC

Isomeric SMILES

CCO[C@@H](CC1=CC=C(C=C1)OCCN2C(=CC=C2C)C)C(=O)OCC

InChI

InChI=1S/C21H29NO4/c1-5-24-20(21(23)25-6-2)15-18-9-11-19(12-10-18)26-14-13-22-16(3)7-8-17(22)4/h7-12,20H,5-6,13-15H2,1-4H3/t20-/m0/s1