butyl 2-[[1-acetyloxy-6-(4-fluorophenyl)-2-oxidanylidene-azepan-3-yl]amino]-4-phenyl-butanoate

Systemtic Name: butyl 2-[[1-acetyloxy-6-(4-fluorophenyl)-2-oxidanylidene-azepan-3-yl]amino]-4-phenyl-butanoate Openeye Name: butyl 2-[[1-acetoxy-6-(4-fluorophenyl)-2-oxo-azepan-3-yl]amino]-4-phenyl-butanoate CAS Name: 2-[[1-acetyloxy-6-(4-fluorophenyl)-2-oxo-3-azepanyl]amino]-4-phenylbutanoic acid butyl ester IUPAC Name: butyl 2-[[1-acetyloxy-6-(4-fluorophenyl)-2-oxoazepan-3-yl]amino]-4-phenylbutanoate Traditional Name: 2-[[1-acetoxy-6-(4-fluorophenyl)-2-keto-azepan-3-yl]amino]-4-phenyl-butyric acid butyl ester Formula: C28H35FN2O5 MolecularWeight: 498.586303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CCC1=CC=CC=C1)NC2CCC(CN(C2=O)OC(=O)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCOC(=O)C(CCC1=CC=CC=C1)NC2CCC(CN(C2=O)OC(=O)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C28H35FN2O5/c1-3-4-18-35-28(34)26(16-10-21-8-6-5-7-9-21)30-25-17-13-23(22-11-14-24(29)15-12-22)19-31(27(25)33)36-20(2)32/h5-9,11-12,14-15,23,25-26,30H,3-4,10,13,16-19H2,1-2H3