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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=CC2=C1C=C(N2CC3=CC(=C(C=C3)Cl)Cl)C(=O)O)O

Isomeric SMILES

CN(C)CC1=C(C=CC2=C1C=C(N2CC3=CC(=C(C=C3)Cl)Cl)C(=O)O)O

InChI

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