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

Systemtic Name: 5-chloranyl-3-[2-[(3,4-dimethylphenyl)-ethyl-amino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 5-chloro-3-[2-(N-ethyl-3,4-dimethyl-anilino)-2-oxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 5-chloro-3-[2-(N-ethyl-3,4-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-chloro-3-[2-(N-ethyl-3,4-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid Traditional Name: 5-chloro-3-[2-(N-ethyl-3,4-dimethyl-anilino)-2-keto-ethyl]-1H-indole-2-carboxylic acid Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC(=C(C=C1)C)C)C(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CCN(C1=CC(=C(C=C1)C)C)C(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O

InChI

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