4-[2-oxidanylidene-1-phenyl-3-(pyrimidin-4-ylmethyl)indol-3-yl]butanoic acid

Systemtic Name: 4-[2-oxidanylidene-1-phenyl-3-(pyrimidin-4-ylmethyl)indol-3-yl]butanoic acid Openeye Name: 4-[2-oxo-1-phenyl-3-(pyrimidin-4-ylmethyl)indolin-3-yl]butanoic acid CAS Name: 4-[2-oxo-1-phenyl-3-(4-pyrimidinylmethyl)-3-indolyl]butanoic acid IUPAC Name: 4-[2-oxo-1-phenyl-3-(pyrimidin-4-ylmethyl)indol-3-yl]butanoic acid Traditional Name: 4-[2-keto-1-phenyl-3-(4-pyrimidylmethyl)indolin-3-yl]butyric acid Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O3/c27-21(28)11-6-13-23(15-17-12-14-24-16-25-17)19-9-4-5-10-20(19)26(22(23)29)18-7-2-1-3-8-18/h1-5,7-10,12,14,16H,6,11,13,15H2,(H,27,28)