2-[5-[4-[2-(3-cyano-1H-indol-5-yl)ethylcarbamoyl]phenyl]-2-oxidanylidene-pyridin-1-yl]ethanoic acid

Systemtic Name: 2-[5-[4-[2-(3-cyano-1H-indol-5-yl)ethylcarbamoyl]phenyl]-2-oxidanylidene-pyridin-1-yl]ethanoic acid Openeye Name: 2-[5-[4-[2-(3-cyano-1H-indol-5-yl)ethylcarbamoyl]phenyl]-2-oxo-1-pyridyl]acetic acid CAS Name: 2-[5-[4-[[2-(3-cyano-1H-indol-5-yl)ethylamino]-oxomethyl]phenyl]-2-oxo-1-pyridinyl]acetic acid IUPAC Name: 2-[5-[4-[2-(3-cyano-1H-indol-5-yl)ethylcarbamoyl]phenyl]-2-oxopyridin-1-yl]acetic acid Traditional Name: 2-[5-[4-[2-(3-cyano-1H-indol-5-yl)ethylcarbamoyl]phenyl]-2-keto-1-pyridyl]acetic acid Formula: C25H20N4O4 MolecularWeight: 440.4507

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN(C(=O)C=C2)CC(=O)O)C(=O)NCCC3=CC4=C(C=C3)NC=C4C#N

Isomeric SMILES

C1=CC(=CC=C1C2=CN(C(=O)C=C2)CC(=O)O)C(=O)NCCC3=CC4=C(C=C3)NC=C4C#N

InChI

InChI=1S/C25H20N4O4/c26-12-20-13-28-22-7-1-16(11-21(20)22)9-10-27-25(33)18-4-2-17(3-5-18)19-6-8-23(30)29(14-19)15-24(31)32/h1-8,11,13-14,28H,9-10,15H2,(H,27,33)(H,31,32)