2-[(2S)-4-(3,5-dimethoxyphenyl)-2-phenyl-piperazin-1-yl]-N-(2-phenoxyethyl)ethanamine

Systemtic Name: 2-[(2S)-4-(3,5-dimethoxyphenyl)-2-phenyl-piperazin-1-yl]-N-(2-phenoxyethyl)ethanamine Openeye Name: 2-[(2S)-4-(3,5-dimethoxyphenyl)-2-phenyl-piperazin-1-yl]-N-(2-phenoxyethyl)ethanamine CAS Name: 2-[(2S)-4-(3,5-dimethoxyphenyl)-2-phenyl-1-piperazinyl]-N-(2-phenoxyethyl)ethanamine IUPAC Name: 2-[(2S)-4-(3,5-dimethoxyphenyl)-2-phenylpiperazin-1-yl]-N-(2-phenoxyethyl)ethanamine Traditional Name: 2-[(2S)-4-(3,5-dimethoxyphenyl)-2-phenyl-piperazino]ethyl-(2-phenoxyethyl)amine Formula: C28H35N3O3 MolecularWeight: 461.5958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2CCN(C(C2)C3=CC=CC=C3)CCNCCOC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2CCN([C@H](C2)C3=CC=CC=C3)CCNCCOC4=CC=CC=C4)OC

InChI

InChI=1S/C28H35N3O3/c1-32-26-19-24(20-27(21-26)33-2)31-17-16-30(28(22-31)23-9-5-3-6-10-23)15-13-29-14-18-34-25-11-7-4-8-12-25/h3-12,19-21,28-29H,13-18,22H2,1-2H3/t28-/m1/s1