6-(dimethylamino)-6-oxidanylidene-2-phenoxy-5,5-diphenyl-2-piperazin-1-yl-hexanoic acid

Systemtic Name: 6-(dimethylamino)-6-oxidanylidene-2-phenoxy-5,5-diphenyl-2-piperazin-1-yl-hexanoic acid Openeye Name: 6-(dimethylamino)-6-oxo-2-phenoxy-5,5-diphenyl-2-piperazin-1-yl-hexanoic acid CAS Name: 6-(dimethylamino)-6-oxo-2-phenoxy-5,5-diphenyl-2-(1-piperazinyl)hexanoic acid IUPAC Name: 6-(dimethylamino)-6-oxo-2-phenoxy-5,5-diphenyl-2-piperazin-1-ylhexanoic acid Traditional Name: 6-(dimethylamino)-6-keto-2-phenoxy-5,5-diphenyl-2-piperazino-hexanoic acid Formula: C30H35N3O4 MolecularWeight: 501.6166

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(CCC(C(=O)O)(N1CCNCC1)OC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C)C(=O)C(CCC(C(=O)O)(N1CCNCC1)OC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H35N3O4/c1-32(2)27(34)29(24-12-6-3-7-13-24,25-14-8-4-9-15-25)18-19-30(28(35)36,33-22-20-31-21-23-33)37-26-16-10-5-11-17-26/h3-17,31H,18-23H2,1-2H3,(H,35,36)