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

Systemtic Name: 2-[4-(2-adamantyl)piperazin-1-yl]-2-(5-chloranyl-1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-(2-adamantyl)piperazin-1-yl]-2-(5-chloro-1H-indol-3-yl)acetic acid CAS Name: 2-[4-(2-adamantyl)-1-piperazinyl]-2-(5-chloro-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(2-adamantyl)piperazin-1-yl]-2-(5-chloro-1H-indol-3-yl)acetic acid Traditional Name: 2-[4-(2-adamantyl)piperazino]-2-(5-chloro-1H-indol-3-yl)acetic acid Formula: C24H30ClN3O2 MolecularWeight: 427.9669

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(C5=CNC6=C5C=C(C=C6)Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(C5=CNC6=C5C=C(C=C6)Cl)C(=O)O

InChI

InChI=1S/C24H30ClN3O2/c25-18-1-2-21-19(12-18)20(13-26-21)23(24(29)30)28-5-3-27(4-6-28)22-16-8-14-7-15(10-16)11-17(22)9-14/h1-2,12-17,22-23,26H,3-11H2,(H,29,30)