(3S)-3-cyclohexyl-3-(2,5-dimethylpyrrol-1-yl)propanoate

Systemtic Name: (3S)-3-cyclohexyl-3-(2,5-dimethylpyrrol-1-yl)propanoate Openeye Name: (3S)-3-cyclohexyl-3-(2,5-dimethylpyrrol-1-yl)propanoate CAS Name: (3S)-3-cyclohexyl-3-(2,5-dimethyl-1-pyrrolyl)propanoate IUPAC Name: (3S)-3-cyclohexyl-3-(2,5-dimethylpyrrol-1-yl)propanoate Traditional Name: (3S)-3-cyclohexyl-3-(2,5-dimethylpyrrol-1-yl)propionate Formula: C15H22NO2- MolecularWeight: 248.34068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C(CC(=O)[O-])C2CCCCC2)C

Isomeric SMILES

CC1=CC=C(N1[C@@H](CC(=O)[O-])C2CCCCC2)C

InChI

InChI=1S/C15H23NO2/c1-11-8-9-12(2)16(11)14(10-15(17)18)13-6-4-3-5-7-13/h8-9,13-14H,3-7,10H2,1-2H3,(H,17,18)/p-1/t14-/m0/s1