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

Systemtic Name: ethyl 3-(phenylmethyl)-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate Openeye Name: ethyl 3-benzyl-4-[4-[4-(4-pyridyl)piperazin-1-yl]phenoxy]butanoate CAS Name: 3-(phenylmethyl)-4-[4-(4-pyridin-4-yl-1-piperazinyl)phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 3-benzyl-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate Traditional Name: 3-benzyl-4-[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)CC(CC1=CC=CC=C1)COC2=CC=C(C=C2)N3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)CC(CC1=CC=CC=C1)COC2=CC=C(C=C2)N3CCN(CC3)C4=CC=NC=C4

InChI

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