methyl 4-[3-[4-(1,3-benzoxazol-2-ylamino)-3-methyl-phenyl]-1-fluoranyl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[3-[4-(1,3-benzoxazol-2-ylamino)-3-methyl-phenyl]-1-fluoranyl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylate Openeye Name: methyl 4-[3-[4-(1,3-benzoxazol-2-ylamino)-3-methyl-phenyl]-1-fluoro-2-oxo-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylate CAS Name: 4-[3-[4-(1,3-benzoxazol-2-ylamino)-3-methylphenyl]-1-fluoro-2-oxo-1-(1-pyrrolidinyl)propoxy]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-[4-(1,3-benzoxazol-2-ylamino)-3-methylphenyl]-1-fluoro-2-oxo-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylate Traditional Name: 4-[3-[4-(1,3-benzoxazol-2-ylamino)-3-methyl-phenyl]-1-fluoro-2-keto-1-pyrrolidino-propoxy]cyclohexanecarboxylic acid methyl ester Formula: C29H34FN3O5 MolecularWeight: 523.595763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC(=O)C(N2CCCC2)(OC3CCC(CC3)C(=O)OC)F)NC4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C=CC(=C1)CC(=O)C(N2CCCC2)(OC3CCC(CC3)C(=O)OC)F)NC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C29H34FN3O5/c1-19-17-20(9-14-23(19)31-28-32-24-7-3-4-8-25(24)37-28)18-26(34)29(30,33-15-5-6-16-33)38-22-12-10-21(11-13-22)27(35)36-2/h3-4,7-9,14,17,21-22H,5-6,10-13,15-16,18H2,1-2H3,(H,31,32)