(E)-4-[2-oxidanylidene-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]but-2-enoic acid

Systemtic Name: (E)-4-[2-oxidanylidene-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]but-2-enoic acid Openeye Name: (E)-4-[2-oxo-1-phenyl-3-(4-pyridylmethyl)indolin-3-yl]but-2-enoic acid CAS Name: (E)-4-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)-3-indolyl]-2-butenoic acid IUPAC Name: (E)-4-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]but-2-enoic acid Traditional Name: (E)-4-[2-keto-1-phenyl-3-(4-pyridylmethyl)indolin-3-yl]but-2-enoic acid Formula: C24H20N2O3 MolecularWeight: 384.4272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(CC=CC(=O)O)CC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(C/C=C/C(=O)O)CC4=CC=NC=C4

InChI

InChI=1S/C24H20N2O3/c27-22(28)11-6-14-24(17-18-12-15-25-16-13-18)20-9-4-5-10-21(20)26(23(24)29)19-7-2-1-3-8-19/h1-13,15-16H,14,17H2,(H,27,28)/b11-6+