3-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)propanoate

Systemtic Name: 3-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)propanoate Openeye Name: 3-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)propanoate CAS Name: 3-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)propanoate IUPAC Name: 3-(2,5-dimethyl-1-phenethylpyrrol-3-yl)propanoate Traditional Name: 3-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)propionate Formula: C17H20NO2- MolecularWeight: 270.3462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)CCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)CCC(=O)[O-]

InChI

InChI=1S/C17H21NO2/c1-13-12-16(8-9-17(19)20)14(2)18(13)11-10-15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,19,20)/p-1