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

Systemtic Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)acetic acid CAS Name: 2-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-2-(2-methyl-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)acetic acid Traditional Name: 2-[4-(3-chlorobenzyl)piperazino]-2-(2-methyl-1H-indol-3-yl)acetic acid Formula: C22H24ClN3O2 MolecularWeight: 397.89786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)O)N3CCN(CC3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(C(=O)O)N3CCN(CC3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H24ClN3O2/c1-15-20(18-7-2-3-8-19(18)24-15)21(22(27)28)26-11-9-25(10-12-26)14-16-5-4-6-17(23)13-16/h2-8,13,21,24H,9-12,14H2,1H3,(H,27,28)