(5S)-1-ethanoyl-5-(phenylmethyl)-2H-pyrrole-5-carboxylic acid

Systemtic Name: (5S)-1-ethanoyl-5-(phenylmethyl)-2H-pyrrole-5-carboxylic acid Openeye Name: (5S)-1-acetyl-5-benzyl-2H-pyrrole-5-carboxylic acid CAS Name: (5S)-1-acetyl-5-(phenylmethyl)-2H-pyrrole-5-carboxylic acid IUPAC Name: (5S)-1-acetyl-5-benzyl-2H-pyrrole-5-carboxylic acid Traditional Name: (2S)-1-acetyl-2-benzyl-3-pyrroline-2-carboxylic acid Formula: C14H15NO3 MolecularWeight: 245.2738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC=CC1(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)N1CC=C[C@@]1(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H15NO3/c1-11(16)15-9-5-8-14(15,13(17)18)10-12-6-3-2-4-7-12/h2-8H,9-10H2,1H3,(H,17,18)/t14-/m1/s1