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

Systemtic Name: 2-[3-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-6-(4-fluorophenyl)-2-oxidanylidene-azepan-1-yl]ethanoic acid Openeye Name: 2-[3-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-6-(4-fluorophenyl)-2-oxo-azepan-1-yl]acetic acid CAS Name: 2-[3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-6-(4-fluorophenyl)-2-oxo-1-azepanyl]acetic acid IUPAC Name: 2-[3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-6-(4-fluorophenyl)-2-oxoazepan-1-yl]acetic acid Traditional Name: 2-[3-[(1-carbethoxy-3-phenyl-propyl)amino]-6-(4-fluorophenyl)-2-keto-azepan-1-yl]acetic acid 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)CC(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C26H31FN2O5/c1-2-34-26(33)23(14-8-18-6-4-3-5-7-18)28-22-15-11-20(19-9-12-21(27)13-10-19)16-29(25(22)32)17-24(30)31/h3-7,9-10,12-13,20,22-23,28H,2,8,11,14-17H2,1H3,(H,30,31)