2-[3-[(1-butoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-6-(4-fluorophenyl)-2-oxidanylidene-azepan-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(1-butoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-6-(4-fluorophenyl)-2-oxidanylidene-azepan-1-yl]ethanoic acid Openeye Name: 2-[3-[(1-butoxycarbonyl-3-phenyl-propyl)amino]-6-(4-fluorophenyl)-2-oxo-azepan-1-yl]acetic acid CAS Name: 2-[3-[(1-butoxy-1-oxo-4-phenylbutan-2-yl)amino]-6-(4-fluorophenyl)-2-oxo-1-azepanyl]acetic acid IUPAC Name: 2-[3-[(1-butoxy-1-oxo-4-phenylbutan-2-yl)amino]-6-(4-fluorophenyl)-2-oxoazepan-1-yl]acetic acid Traditional Name: 2-[3-[(1-butoxycarbonyl-3-phenyl-propyl)amino]-6-(4-fluorophenyl)-2-keto-azepan-1-yl]acetic acid Formula: C28H35FN2O5 MolecularWeight: 498.586303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35FN2O5/c1-2-3-17-36-28(35)25(15-9-20-7-5-4-6-8-20)30-24-16-12-22(21-10-13-23(29)14-11-21)18-31(27(24)34)19-26(32)33/h4-8,10-11,13-14,22,24-25,30H,2-3,9,12,15-19H2,1H3,(H,32,33)