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

Systemtic Name: ethyl 2-[4-[[(2-ethoxyphenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propanoate Openeye Name: ethyl 2-[4-[[(2-ethoxyphenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propanoate CAS Name: 2-[4-[[[(2-ethoxyanilino)-oxomethyl]-heptylamino]methyl]phenoxy]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[[(2-ethoxyphenyl)carbamoyl-heptylamino]methyl]phenoxy]-2-methylpropanoate Traditional Name: 2-[4-[[heptyl(o-phenetylcarbamoyl)amino]methyl]phenoxy]-2-methyl-propionic acid ethyl ester Formula: C29H42N2O5 MolecularWeight: 498.65418

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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=CC=C2OCC

Isomeric SMILES

CCCCCCCN(CC1=CC=C(C=C1)OC(C)(C)C(=O)OCC)C(=O)NC2=CC=CC=C2OCC

InChI

InChI=1S/C29H42N2O5/c1-6-9-10-11-14-21-31(28(33)30-25-15-12-13-16-26(25)34-7-2)22-23-17-19-24(20-18-23)36-29(4,5)27(32)35-8-3/h12-13,15-20H,6-11,14,21-22H2,1-5H3,(H,30,33)