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

Systemtic Name: ethyl 2-[[1-acetyloxy-6-(4-fluorophenyl)-2-oxidanylidene-azepan-3-yl]amino]-4-phenyl-butanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H31FN2O5 MolecularWeight: 470.533143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31FN2O5/c1-3-33-26(32)24(15-9-19-7-5-4-6-8-19)28-23-16-12-21(20-10-13-22(27)14-11-20)17-29(25(23)31)34-18(2)30/h4-8,10-11,13-14,21,23-24,28H,3,9,12,15-17H2,1-2H3