1-[4-[(3-azanyl-4,6-dimethyl-pyridin-2-yl)amino]phenyl]ethyl 3-chloranylpropanoate

Systemtic Name: 1-[4-[(3-azanyl-4,6-dimethyl-pyridin-2-yl)amino]phenyl]ethyl 3-chloranylpropanoate Openeye Name: 1-[4-[(3-amino-4,6-dimethyl-2-pyridyl)amino]phenyl]ethyl 3-chloropropanoate CAS Name: 3-chloropropanoic acid 1-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]ethyl ester IUPAC Name: 1-[4-[(3-amino-4,6-dimethylpyridin-2-yl)amino]phenyl]ethyl 3-chloropropanoate Traditional Name: 3-chloropropionic acid 1-[4-[(3-amino-4,6-dimethyl-2-pyridyl)amino]phenyl]ethyl ester Formula: C18H22ClN3O2 MolecularWeight: 347.83918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1N)NC2=CC=C(C=C2)C(C)OC(=O)CCCl)C

Isomeric SMILES

CC1=CC(=NC(=C1N)NC2=CC=C(C=C2)C(C)OC(=O)CCCl)C

InChI

InChI=1S/C18H22ClN3O2/c1-11-10-12(2)21-18(17(11)20)22-15-6-4-14(5-7-15)13(3)24-16(23)8-9-19/h4-7,10,13H,8-9,20H2,1-3H3,(H,21,22)