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

Systemtic Name: ethyl 2-[[6-(4-fluorophenyl)-2-oxidanylidene-azepan-3-yl]amino]-4-phenyl-butanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H29FN2O3 MolecularWeight: 412.497063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29FN2O3/c1-2-30-24(29)22(14-8-17-6-4-3-5-7-17)27-21-15-11-19(16-26-23(21)28)18-9-12-20(25)13-10-18/h3-7,9-10,12-13,19,21-22,27H,2,8,11,14-16H2,1H3,(H,26,28)