(2S)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]butanoate

Systemtic Name: (2S)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]butanoate Openeye Name: (2S)-2-[4-[(E)-2-(4-pyridyl)vinyl]phenoxy]butanoate CAS Name: (2S)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]butanoate IUPAC Name: (2S)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]butanoate Traditional Name: (2S)-2-[4-[(E)-2-(4-pyridyl)vinyl]phenoxy]butyrate Formula: C17H16NO3- MolecularWeight: 282.31384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])OC1=CC=C(C=C1)C=CC2=CC=NC=C2

Isomeric SMILES

CC[C@@H](C(=O)[O-])OC1=CC=C(C=C1)/C=C/C2=CC=NC=C2

InChI

InChI=1S/C17H17NO3/c1-2-16(17(19)20)21-15-7-5-13(6-8-15)3-4-14-9-11-18-12-10-14/h3-12,16H,2H2,1H3,(H,19,20)/p-1/b4-3+/t16-/m0/s1