3-[(3,4-dichlorophenyl)methyl]-4-(dimethylaminomethyl)-5-oxidanyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-[(3,4-dichlorophenyl)methyl]-4-(dimethylaminomethyl)-5-oxidanyl-1H-indole-2-carboxylic acid Openeye Name: 3-[(3,4-dichlorophenyl)methyl]-4-(dimethylaminomethyl)-5-hydroxy-1H-indole-2-carboxylic acid CAS Name: 3-[(3,4-dichlorophenyl)methyl]-4-(dimethylaminomethyl)-5-hydroxy-1H-indole-2-carboxylic acid IUPAC Name: 3-[(3,4-dichlorophenyl)methyl]-4-(dimethylaminomethyl)-5-hydroxy-1H-indole-2-carboxylic acid Traditional Name: 3-(3,4-dichlorobenzyl)-4-(dimethylaminomethyl)-5-hydroxy-1H-indole-2-carboxylic acid Formula: C19H18Cl2N2O3 MolecularWeight: 393.26382

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=CC2=C1C(=C(N2)C(=O)O)CC3=CC(=C(C=C3)Cl)Cl)O

Isomeric SMILES

CN(C)CC1=C(C=CC2=C1C(=C(N2)C(=O)O)CC3=CC(=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C19H18Cl2N2O3/c1-23(2)9-12-16(24)6-5-15-17(12)11(18(22-15)19(25)26)7-10-3-4-13(20)14(21)8-10/h3-6,8,22,24H,7,9H2,1-2H3,(H,25,26)