(E)-2-azanyl-5-chloranyl-2-(pyridin-4-ylmethyl)hex-4-enoic acid

Systemtic Name: (E)-2-azanyl-5-chloranyl-2-(pyridin-4-ylmethyl)hex-4-enoic acid Openeye Name: (E)-2-amino-5-chloro-2-(4-pyridylmethyl)hex-4-enoic acid CAS Name: (E)-2-amino-5-chloro-2-(pyridin-4-ylmethyl)-4-hexenoic acid IUPAC Name: (E)-2-amino-5-chloro-2-(pyridin-4-ylmethyl)hex-4-enoic acid Traditional Name: (E)-2-amino-5-chloro-2-(4-pyridylmethyl)hex-4-enoic acid Formula: C12H15ClN2O2 MolecularWeight: 254.7127

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(CC1=CC=NC=C1)(C(=O)O)N)Cl

Isomeric SMILES

C/C(=C\CC(CC1=CC=NC=C1)(C(=O)O)N)/Cl

InChI

InChI=1S/C12H15ClN2O2/c1-9(13)2-5-12(14,11(16)17)8-10-3-6-15-7-4-10/h2-4,6-7H,5,8,14H2,1H3,(H,16,17)/b9-2+