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

Systemtic Name: butyl 2-[[6-(4-fluorophenyl)-2-oxidanylidene-azepan-3-yl]amino]-4-phenyl-butanoate Openeye Name: butyl 2-[[6-(4-fluorophenyl)-2-oxo-azepan-3-yl]amino]-4-phenyl-butanoate CAS Name: 2-[[6-(4-fluorophenyl)-2-oxo-3-azepanyl]amino]-4-phenylbutanoic acid butyl ester IUPAC Name: butyl 2-[[6-(4-fluorophenyl)-2-oxoazepan-3-yl]amino]-4-phenylbutanoate Traditional Name: 2-[[6-(4-fluorophenyl)-2-keto-azepan-3-yl]amino]-4-phenyl-butyric acid butyl ester Formula: C26H33FN2O3 MolecularWeight: 440.550223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CCC1=CC=CC=C1)NC2CCC(CNC2=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCOC(=O)C(CCC1=CC=CC=C1)NC2CCC(CNC2=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C26H33FN2O3/c1-2-3-17-32-26(31)24(15-9-19-7-5-4-6-8-19)29-23-16-12-21(18-28-25(23)30)20-10-13-22(27)14-11-20/h4-8,10-11,13-14,21,23-24,29H,2-3,9,12,15-18H2,1H3,(H,28,30)