4-[[2-(4-cyanophenyl)-3-cyclopentyl-propanoyl]amino]pyridine-3-carboxylic acid

Systemtic Name: 4-[[2-(4-cyanophenyl)-3-cyclopentyl-propanoyl]amino]pyridine-3-carboxylic acid Openeye Name: 4-[[2-(4-cyanophenyl)-3-cyclopentyl-propanoyl]amino]pyridine-3-carboxylic acid CAS Name: 4-[[2-(4-cyanophenyl)-3-cyclopentyl-1-oxopropyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 4-[[2-(4-cyanophenyl)-3-cyclopentylpropanoyl]amino]pyridine-3-carboxylic acid Traditional Name: 4-[[2-(4-cyanophenyl)-3-cyclopentyl-propanoyl]amino]nicotinic acid Formula: C21H21N3O3 MolecularWeight: 363.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(C2=CC=C(C=C2)C#N)C(=O)NC3=C(C=NC=C3)C(=O)O

Isomeric SMILES

C1CCC(C1)CC(C2=CC=C(C=C2)C#N)C(=O)NC3=C(C=NC=C3)C(=O)O

InChI

InChI=1S/C21H21N3O3/c22-12-15-5-7-16(8-6-15)17(11-14-3-1-2-4-14)20(25)24-19-9-10-23-13-18(19)21(26)27/h5-10,13-14,17H,1-4,11H2,(H,26,27)(H,23,24,25)