2-(2-phenyl-1H-indol-3-yl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(2-phenyl-1H-indol-3-yl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(4-benzylpiperazin-1-yl)-2-(2-phenyl-1H-indol-3-yl)acetic acid CAS Name: 2-(2-phenyl-1H-indol-3-yl)-2-[4-(phenylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(4-benzylpiperazin-1-yl)-2-(2-phenyl-1H-indol-3-yl)acetic acid Traditional Name: 2-(4-benzylpiperazino)-2-(2-phenyl-1H-indol-3-yl)acetic acid Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H27N3O2/c31-27(32)26(30-17-15-29(16-18-30)19-20-9-3-1-4-10-20)24-22-13-7-8-14-23(22)28-25(24)21-11-5-2-6-12-21/h1-14,26,28H,15-19H2,(H,31,32)