ethyl (2S)-2-[[3-[6-[[(7R)-7-oxidanyl-5,6,7,8-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-6-(trifluoromethyl)pyridin-2-yl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[[3-[6-[[(7R)-7-oxidanyl-5,6,7,8-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-6-(trifluoromethyl)pyridin-2-yl]amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[[3-[6-[[(3R)-3-hydroxytetralin-5-yl]amino]pyrimidin-4-yl]-6-(trifluoromethyl)-2-pyridyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-[6-[[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]amino]-4-pyrimidinyl]-6-(trifluoromethyl)-2-pyridinyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[3-[6-[[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-6-(trifluoromethyl)pyridin-2-yl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[3-[6-[[(3R)-3-hydroxytetralin-5-yl]amino]pyrimidin-4-yl]-6-(trifluoromethyl)-2-pyridyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C31H30F3N5O3 MolecularWeight: 577.59681

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC2=C(C=CC(=N2)C(F)(F)F)C3=CC(=NC=N3)NC4=CC=CC5=C4CC(CC5)O

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC2=C(C=CC(=N2)C(F)(F)F)C3=CC(=NC=N3)NC4=CC=CC5=C4C[C@@H](CC5)O

InChI

InChI=1S/C31H30F3N5O3/c1-2-42-30(41)26(15-19-7-4-3-5-8-19)38-29-22(13-14-27(39-29)31(32,33)34)25-17-28(36-18-35-25)37-24-10-6-9-20-11-12-21(40)16-23(20)24/h3-10,13-14,17-18,21,26,40H,2,11-12,15-16H2,1H3,(H,38,39)(H,35,36,37)/t21-,26+/m1/s1