(phenylmethyl) 3-[2-fluoranyl-4-(phenylmethoxycarbonylamino)phenyl]-3-methyl-azetidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[2-fluoranyl-4-(phenylmethoxycarbonylamino)phenyl]-3-methyl-azetidine-1-carboxylate Openeye Name: benzyl 3-[4-(benzyloxycarbonylamino)-2-fluoro-phenyl]-3-methyl-azetidine-1-carboxylate CAS Name: 3-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]-3-methyl-1-azetidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]-3-methylazetidine-1-carboxylate Traditional Name: 3-[4-(benzyloxycarbonylamino)-2-fluoro-phenyl]-3-methyl-azetidine-1-carboxylic acid benzyl ester Formula: C26H25FN2O4 MolecularWeight: 448.486103

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C1)C(=O)OCC2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)OCC4=CC=CC=C4)F

Isomeric SMILES

CC1(CN(C1)C(=O)OCC2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)OCC4=CC=CC=C4)F

InChI

InChI=1S/C26H25FN2O4/c1-26(17-29(18-26)25(31)33-16-20-10-6-3-7-11-20)22-13-12-21(14-23(22)27)28-24(30)32-15-19-8-4-2-5-9-19/h2-14H,15-18H2,1H3,(H,28,30)