4-[2-prop-2-enyl-4-(2-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoic acid

Systemtic Name: 4-[2-prop-2-enyl-4-(2-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoic acid Openeye Name: 4-[2-allyl-4-[2-(4-pyridyl)piperazin-1-yl]phenoxy]butanoic acid CAS Name: 4-[2-prop-2-enyl-4-(2-pyridin-4-yl-1-piperazinyl)phenoxy]butanoic acid IUPAC Name: 4-[2-prop-2-enyl-4-(2-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoic acid Traditional Name: 4-[2-allyl-4-[2-(4-pyridyl)piperazino]phenoxy]butyric acid Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C=CC(=C1)N2CCNCC2C3=CC=NC=C3)OCCCC(=O)O

Isomeric SMILES

C=CCC1=C(C=CC(=C1)N2CCNCC2C3=CC=NC=C3)OCCCC(=O)O

InChI

InChI=1S/C22H27N3O3/c1-2-4-18-15-19(6-7-21(18)28-14-3-5-22(26)27)25-13-12-24-16-20(25)17-8-10-23-11-9-17/h2,6-11,15,20,24H,1,3-5,12-14,16H2,(H,26,27)