ethyl 2-[4-[[(4-chlorophenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propanoate

Systemtic Name: ethyl 2-[4-[[(4-chlorophenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propanoate Openeye Name: ethyl 2-[4-[[(4-chlorophenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propanoate CAS Name: 2-[4-[[[(4-chloroanilino)-oxomethyl]-heptylamino]methyl]phenoxy]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[[(4-chlorophenyl)carbamoyl-heptylamino]methyl]phenoxy]-2-methylpropanoate Traditional Name: 2-[4-[[(4-chlorophenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propionic acid ethyl ester Formula: C27H37ClN2O4 MolecularWeight: 489.04668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=C(C=C1)OC(C)(C)C(=O)OCC)C(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCN(CC1=CC=C(C=C1)OC(C)(C)C(=O)OCC)C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C27H37ClN2O4/c1-5-7-8-9-10-19-30(26(32)29-23-15-13-22(28)14-16-23)20-21-11-17-24(18-12-21)34-27(3,4)25(31)33-6-2/h11-18H,5-10,19-20H2,1-4H3,(H,29,32)