4-(4-cyanophenyl)-5-methyl-2-propyl-1H-pyrrole-3-carboxylic acid

Systemtic Name: 4-(4-cyanophenyl)-5-methyl-2-propyl-1H-pyrrole-3-carboxylic acid Openeye Name: 4-(4-cyanophenyl)-5-methyl-2-propyl-1H-pyrrole-3-carboxylic acid CAS Name: 4-(4-cyanophenyl)-5-methyl-2-propyl-1H-pyrrole-3-carboxylic acid IUPAC Name: 4-(4-cyanophenyl)-5-methyl-2-propyl-1H-pyrrole-3-carboxylic acid Traditional Name: 4-(4-cyanophenyl)-5-methyl-2-propyl-1H-pyrrole-3-carboxylic acid Formula: C16H16N2O2 MolecularWeight: 268.31044

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(N1)C)C2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

CCCC1=C(C(=C(N1)C)C2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C16H16N2O2/c1-3-4-13-15(16(19)20)14(10(2)18-13)12-7-5-11(9-17)6-8-12/h5-8,18H,3-4H2,1-2H3,(H,19,20)