5-chloranyl-3-[2-[ethyl-(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-chloranyl-3-[2-[ethyl-(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 5-chloro-3-[2-(N,2-diethylanilino)-2-oxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 5-chloro-3-[2-(N,2-diethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-chloro-3-[2-(N,2-diethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid Traditional Name: 5-chloro-3-[2-(N,2-diethylanilino)-2-keto-ethyl]-1H-indole-2-carboxylic acid Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(CC)C(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CCC1=CC=CC=C1N(CC)C(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C21H21ClN2O3/c1-3-13-7-5-6-8-18(13)24(4-2)19(25)12-16-15-11-14(22)9-10-17(15)23-20(16)21(26)27/h5-11,23H,3-4,12H2,1-2H3,(H,26,27)