ethyl 4-phenoxy-3-(phenylmethyl)-4-(4-pyridin-4-ylpiperazin-1-yl)butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC1=CC=CC=C1)C(N2CCN(CC2)C3=CC=NC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC(CC1=CC=CC=C1)C(N2CCN(CC2)C3=CC=NC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O3/c1-2-33-27(32)22-24(21-23-9-5-3-6-10-23)28(34-26-11-7-4-8-12-26)31-19-17-30(18-20-31)25-13-15-29-16-14-25/h3-16,24,28H,2,17-22H2,1H3