3-[2-[(2,5-dimethylphenyl)-methyl-amino]-2-oxidanylidene-ethyl]-1-ethyl-indole-2-carboxylic acid

Systemtic Name: 3-[2-[(2,5-dimethylphenyl)-methyl-amino]-2-oxidanylidene-ethyl]-1-ethyl-indole-2-carboxylic acid Openeye Name: 1-ethyl-3-[2-oxo-2-(N,2,5-trimethylanilino)ethyl]indole-2-carboxylic acid CAS Name: 1-ethyl-3-[2-oxo-2-(N,2,5-trimethylanilino)ethyl]-2-indolecarboxylic acid IUPAC Name: 1-ethyl-3-[2-oxo-2-(N,2,5-trimethylanilino)ethyl]indole-2-carboxylic acid Traditional Name: 1-ethyl-3-[2-keto-2-(N,2,5-trimethylanilino)ethyl]indole-2-carboxylic acid Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)N(C)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)N(C)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H24N2O3/c1-5-24-18-9-7-6-8-16(18)17(21(24)22(26)27)13-20(25)23(4)19-12-14(2)10-11-15(19)3/h6-12H,5,13H2,1-4H3,(H,26,27)