ethyl 2-[2-[[(2,5-ditert-butylphenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propanoate

Systemtic Name: ethyl 2-[2-[[(2,5-ditert-butylphenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propanoate Openeye Name: ethyl 2-[2-[[(2,5-ditert-butylphenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propanoate CAS Name: 2-[2-[[[(2,5-ditert-butylanilino)-oxomethyl]-heptylamino]methyl]phenoxy]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[2-[[(2,5-ditert-butylphenyl)carbamoyl-heptylamino]methyl]phenoxy]-2-methylpropanoate Traditional Name: 2-[2-[[(2,5-ditert-butylphenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propionic acid ethyl ester Formula: C35H54N2O4 MolecularWeight: 566.81426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=CC=C1OC(C)(C)C(=O)OCC)C(=O)NC2=C(C=CC(=C2)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCCCCN(CC1=CC=CC=C1OC(C)(C)C(=O)OCC)C(=O)NC2=C(C=CC(=C2)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C35H54N2O4/c1-11-13-14-15-18-23-37(25-26-19-16-17-20-30(26)41-35(9,10)31(38)40-12-2)32(39)36-29-24-27(33(3,4)5)21-22-28(29)34(6,7)8/h16-17,19-22,24H,11-15,18,23,25H2,1-10H3,(H,36,39)