1-[4-[4-[2-(3-cyano-1H-indol-5-yl)ethylcarbamoyl]phenyl]pyrimidin-2-yl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[4-[2-(3-cyano-1H-indol-5-yl)ethylcarbamoyl]phenyl]pyrimidin-2-yl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[4-[2-(3-cyano-1H-indol-5-yl)ethylcarbamoyl]phenyl]pyrimidin-2-yl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-[4-[[2-(3-cyano-1H-indol-5-yl)ethylamino]-oxomethyl]phenyl]-2-pyrimidinyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[4-[2-(3-cyano-1H-indol-5-yl)ethylcarbamoyl]phenyl]pyrimidin-2-yl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[4-[2-(3-cyano-1H-indol-5-yl)ethylcarbamoyl]phenyl]pyrimidin-2-yl]proline Formula: C27H24N6O3 MolecularWeight: 480.51786

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)NCCC4=CC5=C(C=C4)NC=C5C#N)C(=O)O

Isomeric SMILES

C1CC(N(C1)C2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)NCCC4=CC5=C(C=C4)NC=C5C#N)C(=O)O

InChI

InChI=1S/C27H24N6O3/c28-15-20-16-31-23-8-3-17(14-21(20)23)9-11-29-25(34)19-6-4-18(5-7-19)22-10-12-30-27(32-22)33-13-1-2-24(33)26(35)36/h3-8,10,12,14,16,24,31H,1-2,9,11,13H2,(H,29,34)(H,35,36)