[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C19H24N2O3 MolecularWeight: 328.40546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC=C(C=C1)N2C(=CC=C2C)C

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CC=C(C=C1)N2C(=CC=C2C)C

InChI

InChI=1S/C19H24N2O3/c1-5-12-20-18(22)15(4)24-19(23)16-8-10-17(11-9-16)21-13(2)6-7-14(21)3/h6-11,15H,5,12H2,1-4H3,(H,20,22)/t15-/m0/s1