1-[(3,4-dichlorophenyl)methyl]-4-(2-dimethylaminoethylcarbamoyl)indole-2-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-4-(2-dimethylaminoethylcarbamoyl)indole-2-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-4-(2-dimethylaminoethylcarbamoyl)indole-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-4-[(2-dimethylaminoethylamino)-oxomethyl]-2-indolecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-4-(2-dimethylaminoethylcarbamoyl)indole-2-carboxylic acid Traditional Name: 1-(3,4-dichlorobenzyl)-4-(2-dimethylaminoethylcarbamoyl)indole-2-carboxylic acid Formula: C21H21Cl2N3O3 MolecularWeight: 434.31574

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=C2C=C(N(C2=CC=C1)CC3=CC(=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

CN(C)CCNC(=O)C1=C2C=C(N(C2=CC=C1)CC3=CC(=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C21H21Cl2N3O3/c1-25(2)9-8-24-20(27)14-4-3-5-18-15(14)11-19(21(28)29)26(18)12-13-6-7-16(22)17(23)10-13/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,27)(H,28,29)