2-(6-chloranyl-1H-indol-3-yl)-2-[4-(diphenylmethyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(6-chloranyl-1H-indol-3-yl)-2-[4-(diphenylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(4-benzhydrylpiperazin-1-yl)-2-(6-chloro-1H-indol-3-yl)acetic acid CAS Name: 2-(6-chloro-1H-indol-3-yl)-2-[4-(diphenylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)-2-(6-chloro-1H-indol-3-yl)acetic acid Traditional Name: 2-(4-benzhydrylpiperazino)-2-(6-chloro-1H-indol-3-yl)acetic acid Formula: C27H26ClN3O2 MolecularWeight: 459.96724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CNC5=C4C=CC(=C5)Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CNC5=C4C=CC(=C5)Cl)C(=O)O

InChI

InChI=1S/C27H26ClN3O2/c28-21-11-12-22-23(18-29-24(22)17-21)26(27(32)33)31-15-13-30(14-16-31)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17-18,25-26,29H,13-16H2,(H,32,33)