ethyl 2-[2-[[(2-fluorophenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propanoate

Systemtic Name: ethyl 2-[2-[[(2-fluorophenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propanoate Openeye Name: ethyl 2-[2-[[(2-fluorophenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propanoate CAS Name: 2-[2-[[[(2-fluoroanilino)-oxomethyl]-heptylamino]methyl]phenoxy]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[2-[[(2-fluorophenyl)carbamoyl-heptylamino]methyl]phenoxy]-2-methylpropanoate Traditional Name: 2-[2-[[(2-fluorophenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propionic acid ethyl ester Formula: C27H37FN2O4 MolecularWeight: 472.592083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=CC=C1OC(C)(C)C(=O)OCC)C(=O)NC2=CC=CC=C2F

Isomeric SMILES

CCCCCCCN(CC1=CC=CC=C1OC(C)(C)C(=O)OCC)C(=O)NC2=CC=CC=C2F

InChI

InChI=1S/C27H37FN2O4/c1-5-7-8-9-14-19-30(26(32)29-23-17-12-11-16-22(23)28)20-21-15-10-13-18-24(21)34-27(3,4)25(31)33-6-2/h10-13,15-18H,5-9,14,19-20H2,1-4H3,(H,29,32)