(6-phenoxypyridin-2-yl)methyl 2-[[(E)-3-chloranylbut-2-enyl]amino]-3-methyl-butanoate

Systemtic Name: (6-phenoxypyridin-2-yl)methyl 2-[[(E)-3-chloranylbut-2-enyl]amino]-3-methyl-butanoate Openeye Name: (6-phenoxy-2-pyridyl)methyl 2-[[(E)-3-chlorobut-2-enyl]amino]-3-methyl-butanoate CAS Name: 2-[[(E)-3-chlorobut-2-enyl]amino]-3-methylbutanoic acid (6-phenoxy-2-pyridinyl)methyl ester IUPAC Name: (6-phenoxypyridin-2-yl)methyl 2-[[(E)-3-chlorobut-2-enyl]amino]-3-methylbutanoate Traditional Name: 2-[[(E)-3-chlorobut-2-enyl]amino]-3-methyl-butyric acid (6-phenoxy-2-pyridyl)methyl ester Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NC(=CC=C1)OC2=CC=CC=C2)NCC=C(C)Cl

Isomeric SMILES

CC(C)C(C(=O)OCC1=NC(=CC=C1)OC2=CC=CC=C2)NC/C=C(\C)/Cl

InChI

InChI=1S/C21H25ClN2O3/c1-15(2)20(23-13-12-16(3)22)21(25)26-14-17-8-7-11-19(24-17)27-18-9-5-4-6-10-18/h4-12,15,20,23H,13-14H2,1-3H3/b16-12+