2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)acetic acid CAS Name: 2-[4-(3,4-dichlorophenyl)-1-piperazinyl]-2-(2-methyl-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)acetic acid Traditional Name: 2-[4-(3,4-dichlorophenyl)piperazino]-2-(2-methyl-1H-indol-3-yl)acetic acid Formula: C21H21Cl2N3O2 MolecularWeight: 418.31634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)O)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(C(=O)O)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H21Cl2N3O2/c1-13-19(15-4-2-3-5-18(15)24-13)20(21(27)28)26-10-8-25(9-11-26)14-6-7-16(22)17(23)12-14/h2-7,12,20,24H,8-11H2,1H3,(H,27,28)