1-[2-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethoxy]ethyl]-3-phenyl-indole-6-carboxylic acid

Systemtic Name: 1-[2-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethoxy]ethyl]-3-phenyl-indole-6-carboxylic acid Openeye Name: 1-[2-[2-(2-isopropylanilino)-2-oxo-ethoxy]ethyl]-3-phenyl-indole-6-carboxylic acid CAS Name: 1-[2-[2-oxo-2-(2-propan-2-ylanilino)ethoxy]ethyl]-3-phenyl-6-indolecarboxylic acid IUPAC Name: 1-[2-[2-oxo-2-(2-propan-2-ylanilino)ethoxy]ethyl]-3-phenylindole-6-carboxylic acid Traditional Name: 1-[2-[2-(2-isopropylanilino)-2-keto-ethoxy]ethyl]-3-phenyl-indole-6-carboxylic acid Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COCCN2C=C(C3=C2C=C(C=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COCCN2C=C(C3=C2C=C(C=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C28H28N2O4/c1-19(2)22-10-6-7-11-25(22)29-27(31)18-34-15-14-30-17-24(20-8-4-3-5-9-20)23-13-12-21(28(32)33)16-26(23)30/h3-13,16-17,19H,14-15,18H2,1-2H3,(H,29,31)(H,32,33)