2-[4-(4-chlorophenyl)piperazin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[4-(4-chlorophenyl)piperazin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-(4-chlorophenyl)piperazin-1-yl]-2-(5-methoxy-1H-indol-3-yl)acetic acid CAS Name: 2-[4-(4-chlorophenyl)-1-piperazinyl]-2-(5-methoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(4-chlorophenyl)piperazin-1-yl]-2-(5-methoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-[4-(4-chlorophenyl)piperazino]-2-(5-methoxy-1H-indol-3-yl)acetic acid Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O3/c1-28-16-6-7-19-17(12-16)18(13-23-19)20(21(26)27)25-10-8-24(9-11-25)15-4-2-14(22)3-5-15/h2-7,12-13,20,23H,8-11H2,1H3,(H,26,27)