[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] (2R,3S)-3-methyl-2-phenyl-pentanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] (2R,3S)-3-methyl-2-phenyl-pentanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2R,3S)-3-methyl-2-phenyl-pentanoate CAS Name: (2R,3S)-3-methyl-2-phenylpentanoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2R,3S)-3-methyl-2-phenylpentanoate Traditional Name: (2R,3S)-3-methyl-2-phenyl-valeric acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C18H21NO3 MolecularWeight: 299.36424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OCC(=O)C2=CC=CN2

Isomeric SMILES

CC[C@H](C)[C@H](C1=CC=CC=C1)C(=O)OCC(=O)C2=CC=CN2

InChI

InChI=1S/C18H21NO3/c1-3-13(2)17(14-8-5-4-6-9-14)18(21)22-12-16(20)15-10-7-11-19-15/h4-11,13,17,19H,3,12H2,1-2H3/t13-,17+/m0/s1