3,5-dimethyl-4-[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 3,5-dimethyl-4-[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 3,5-dimethyl-4-[(E)-3-[4-(1-piperidyl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carboxylic acid CAS Name: 3,5-dimethyl-4-[(E)-1-oxo-3-[4-(1-piperidinyl)phenyl]prop-2-enyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 3,5-dimethyl-4-[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 3,5-dimethyl-4-[(E)-3-(4-piperidinophenyl)acryloyl]-1H-pyrrole-2-carboxylic acid Formula: C21H24N2O3 MolecularWeight: 352.42686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C=CC2=CC=C(C=C2)N3CCCCC3)C)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1C(=O)/C=C/C2=CC=C(C=C2)N3CCCCC3)C)C(=O)O

InChI

InChI=1S/C21H24N2O3/c1-14-19(15(2)22-20(14)21(25)26)18(24)11-8-16-6-9-17(10-7-16)23-12-4-3-5-13-23/h6-11,22H,3-5,12-13H2,1-2H3,(H,25,26)/b11-8+