1-[2-[5-(4-fluoranyl-3-methyl-phenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2-phenylmethoxy-ethanone

Systemtic Name: 1-[2-[5-(4-fluoranyl-3-methyl-phenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2-phenylmethoxy-ethanone Openeye Name: 2-benzyloxy-1-[2-[5-(4-fluoro-3-methyl-phenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]ethanone CAS Name: 1-[2-[5-(4-fluoro-3-methylphenyl)-1,3-benzoxazol-2-yl]-1-pyrrolidinyl]-2-phenylmethoxyethanone IUPAC Name: 1-[2-[5-(4-fluoro-3-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2-phenylmethoxyethanone Traditional Name: 2-benzoxy-1-[2-[5-(4-fluoro-3-methyl-phenyl)-1,3-benzoxazol-2-yl]pyrrolidino]ethanone Formula: C27H25FN2O3 MolecularWeight: 444.497403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC3=C(C=C2)OC(=N3)C4CCCN4C(=O)COCC5=CC=CC=C5)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC3=C(C=C2)OC(=N3)C4CCCN4C(=O)COCC5=CC=CC=C5)F

InChI

InChI=1S/C27H25FN2O3/c1-18-14-20(9-11-22(18)28)21-10-12-25-23(15-21)29-27(33-25)24-8-5-13-30(24)26(31)17-32-16-19-6-3-2-4-7-19/h2-4,6-7,9-12,14-15,24H,5,8,13,16-17H2,1H3