5-chloranyl-3-[2-[(3,4-dimethylphenyl)-methyl-amino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-chloranyl-3-[2-[(3,4-dimethylphenyl)-methyl-amino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 5-chloro-3-[2-oxo-2-(N,3,4-trimethylanilino)ethyl]-1H-indole-2-carboxylic acid CAS Name: 5-chloro-3-[2-oxo-2-(N,3,4-trimethylanilino)ethyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-chloro-3-[2-oxo-2-(N,3,4-trimethylanilino)ethyl]-1H-indole-2-carboxylic acid Traditional Name: 5-chloro-3-[2-keto-2-(N,3,4-trimethylanilino)ethyl]-1H-indole-2-carboxylic acid Formula: C20H19ClN2O3 MolecularWeight: 370.82946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C)C(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(C)C(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O)C

InChI

InChI=1S/C20H19ClN2O3/c1-11-4-6-14(8-12(11)2)23(3)18(24)10-16-15-9-13(21)5-7-17(15)22-19(16)20(25)26/h4-9,22H,10H2,1-3H3,(H,25,26)