tert-butyl N-[(2S)-1-[6-chloranyl-5-(4-ethenylpyridin-2-yl)pyridin-3-yl]oxy-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[6-chloranyl-5-(4-ethenylpyridin-2-yl)pyridin-3-yl]oxy-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-benzyl-2-[[6-chloro-5-(4-vinyl-2-pyridyl)-3-pyridyl]oxy]ethyl]carbamate CAS Name: N-[(2S)-1-[[6-chloro-5-(4-ethenyl-2-pyridinyl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[6-chloro-5-(4-ethenylpyridin-2-yl)pyridin-3-yl]oxy-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-[[6-chloro-5-(4-vinyl-2-pyridyl)-3-pyridyl]oxy]ethyl]carbamic acid tert-butyl ester Formula: C26H28ClN3O3 MolecularWeight: 465.97182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)COC2=CN=C(C(=C2)C3=NC=CC(=C3)C=C)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)COC2=CN=C(C(=C2)C3=NC=CC(=C3)C=C)Cl

InChI

InChI=1S/C26H28ClN3O3/c1-5-18-11-12-28-23(14-18)22-15-21(16-29-24(22)27)32-17-20(13-19-9-7-6-8-10-19)30-25(31)33-26(2,3)4/h5-12,14-16,20H,1,13,17H2,2-4H3,(H,30,31)/t20-/m0/s1