ethyl 3-methyl-4-phenyl-2-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate

Systemtic Name: ethyl 3-methyl-4-phenyl-2-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate Openeye Name: ethyl 3-methyl-4-phenyl-2-[4-[4-(4-pyridyl)piperazin-1-yl]phenoxy]butanoate CAS Name: 3-methyl-4-phenyl-2-[4-(4-pyridin-4-yl-1-piperazinyl)phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-phenyl-2-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate Traditional Name: 3-methyl-4-phenyl-2-[4-[4-(4-pyridyl)piperazino]phenoxy]butyric acid ethyl ester Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)CC1=CC=CC=C1)OC2=CC=C(C=C2)N3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C(C(C)CC1=CC=CC=C1)OC2=CC=C(C=C2)N3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C28H33N3O3/c1-3-33-28(32)27(22(2)21-23-7-5-4-6-8-23)34-26-11-9-24(10-12-26)30-17-19-31(20-18-30)25-13-15-29-16-14-25/h4-16,22,27H,3,17-21H2,1-2H3