ethanoic acid; [2-(2-phenoxyethyl)piperazin-1-yl]-(2-phenylphenyl)methanone

Systemtic Name: ethanoic acid; [2-(2-phenoxyethyl)piperazin-1-yl]-(2-phenylphenyl)methanone Openeye Name: acetic acid; [2-(2-phenoxyethyl)piperazin-1-yl]-(2-phenylphenyl)methanone CAS Name: acetic acid; [2-(2-phenoxyethyl)-1-piperazinyl]-(2-phenylphenyl)methanone IUPAC Name: acetic acid; [2-(2-phenoxyethyl)piperazin-1-yl]-(2-phenylphenyl)methanone Traditional Name: acetic acid; [2-(2-phenoxyethyl)piperazino]-(2-phenylphenyl)methanone Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CN(C(CN1)CCOC2=CC=CC=C2)C(=O)C3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

CC(=O)O.C1CN(C(CN1)CCOC2=CC=CC=C2)C(=O)C3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O2.C2H4O2/c28-25(24-14-8-7-13-23(24)20-9-3-1-4-10-20)27-17-16-26-19-21(27)15-18-29-22-11-5-2-6-12-22;1-2(3)4/h1-14,21,26H,15-19H2;1H3,(H,3,4)