[(3S)-3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone

Systemtic Name: [(3S)-3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone Openeye Name: [(3S)-3-[2-methyl-5-(m-tolyl)pyrimidin-4-yl]-1-piperidyl]-(5-phenoxy-2-furyl)methanone CAS Name: [(3S)-3-[2-methyl-5-(3-methylphenyl)-4-pyrimidinyl]-1-piperidinyl]-(5-phenoxy-2-furanyl)methanone IUPAC Name: [(3S)-3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone Traditional Name: [(3S)-3-[2-methyl-5-(m-tolyl)pyrimidin-4-yl]piperidino]-(5-phenoxy-2-furyl)methanone Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CN=C(N=C2C3CCCN(C3)C(=O)C4=CC=C(O4)OC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=CN=C(N=C2[C@H]3CCCN(C3)C(=O)C4=CC=C(O4)OC5=CC=CC=C5)C

InChI

InChI=1S/C28H27N3O3/c1-19-8-6-9-21(16-19)24-17-29-20(2)30-27(24)22-10-7-15-31(18-22)28(32)25-13-14-26(34-25)33-23-11-4-3-5-12-23/h3-6,8-9,11-14,16-17,22H,7,10,15,18H2,1-2H3/t22-/m0/s1