methyl 2-[4-chloranyl-6-[[(1S)-1-phenylethyl]amino]pyrimidin-2-yl]oxybenzoate

Systemtic Name: methyl 2-[4-chloranyl-6-[[(1S)-1-phenylethyl]amino]pyrimidin-2-yl]oxybenzoate Openeye Name: methyl 2-[4-chloro-6-[[(1S)-1-phenylethyl]amino]pyrimidin-2-yl]oxybenzoate CAS Name: 2-[[4-chloro-6-[[(1S)-1-phenylethyl]amino]-2-pyrimidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 2-[4-chloro-6-[[(1S)-1-phenylethyl]amino]pyrimidin-2-yl]oxybenzoate Traditional Name: 2-[4-chloro-6-[[(1S)-1-phenylethyl]amino]pyrimidin-2-yl]oxybenzoic acid methyl ester Formula: C20H18ClN3O3 MolecularWeight: 383.82822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=CC(=NC(=N2)OC3=CC=CC=C3C(=O)OC)Cl

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC2=CC(=NC(=N2)OC3=CC=CC=C3C(=O)OC)Cl

InChI

InChI=1S/C20H18ClN3O3/c1-13(14-8-4-3-5-9-14)22-18-12-17(21)23-20(24-18)27-16-11-7-6-10-15(16)19(25)26-2/h3-13H,1-2H3,(H,22,23,24)/t13-/m0/s1