4-[[4-[4-[(3-cyano-1H-indol-5-yl)-ethyl-carbamoyl]phenyl]pyridin-2-yl]methylcarbamoyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[[4-[4-[(3-cyano-1H-indol-5-yl)-ethyl-carbamoyl]phenyl]pyridin-2-yl]methylcarbamoyl]piperidine-1-carboxylic acid Openeye Name: 4-[[4-[4-[(3-cyano-1H-indol-5-yl)-ethyl-carbamoyl]phenyl]-2-pyridyl]methylcarbamoyl]piperidine-1-carboxylic acid CAS Name: 4-[[[4-[4-[[(3-cyano-1H-indol-5-yl)-ethylamino]-oxomethyl]phenyl]-2-pyridinyl]methylamino]-oxomethyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[[4-[4-[(3-cyano-1H-indol-5-yl)-ethylcarbamoyl]phenyl]pyridin-2-yl]methylcarbamoyl]piperidine-1-carboxylic acid Traditional Name: 4-[[4-[4-[(3-cyano-1H-indol-5-yl)-ethyl-carbamoyl]phenyl]-2-pyridyl]methylcarbamoyl]piperidine-1-carboxylic acid Formula: C31H30N6O4 MolecularWeight: 550.6077

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)NC=C2C#N)C(=O)C3=CC=C(C=C3)C4=CC(=NC=C4)CNC(=O)C5CCN(CC5)C(=O)O

Isomeric SMILES

CCN(C1=CC2=C(C=C1)NC=C2C#N)C(=O)C3=CC=C(C=C3)C4=CC(=NC=C4)CNC(=O)C5CCN(CC5)C(=O)O

InChI

InChI=1S/C31H30N6O4/c1-2-37(26-7-8-28-27(16-26)24(17-32)18-34-28)30(39)22-5-3-20(4-6-22)23-9-12-33-25(15-23)19-35-29(38)21-10-13-36(14-11-21)31(40)41/h3-9,12,15-16,18,21,34H,2,10-11,13-14,19H2,1H3,(H,35,38)(H,40,41)