2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-(5-methyl-1H-indol-3-yl)acetic acid CAS Name: 2-[4-(3,4-dichlorophenyl)-1-piperazinyl]-2-(5-methyl-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-(5-methyl-1H-indol-3-yl)acetic acid Traditional Name: 2-[4-(3,4-dichlorophenyl)piperazino]-2-(5-methyl-1H-indol-3-yl)acetic acid Formula: C21H21Cl2N3O2 MolecularWeight: 418.31634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

InChI

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