4-[(2-oxidanylidene-2-phenanthren-2-yl-1-phenoxy-ethyl)amino]benzoic acid

Systemtic Name: 4-[(2-oxidanylidene-2-phenanthren-2-yl-1-phenoxy-ethyl)amino]benzoic acid Openeye Name: 4-[[2-oxo-2-(2-phenanthryl)-1-phenoxy-ethyl]amino]benzoic acid CAS Name: 4-[[2-oxo-2-(2-phenanthrenyl)-1-phenoxyethyl]amino]benzoic acid IUPAC Name: 4-[(2-oxo-2-phenanthren-2-yl-1-phenoxyethyl)amino]benzoic acid Traditional Name: 4-[[2-keto-2-(2-phenanthryl)-1-phenoxy-ethyl]amino]benzoic acid Formula: C29H21NO4 MolecularWeight: 447.48134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(C(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C=C3)NC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC(C(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C=C3)NC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C29H21NO4/c31-27(22-14-17-26-21(18-22)11-10-19-6-4-5-9-25(19)26)28(34-24-7-2-1-3-8-24)30-23-15-12-20(13-16-23)29(32)33/h1-18,28,30H,(H,32,33)