[3-(3,4-dimethylphenyl)-2-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamoylamino]propyl] 2,2-dimethylpropanoate

Systemtic Name: [3-(3,4-dimethylphenyl)-2-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamoylamino]propyl] 2,2-dimethylpropanoate Openeye Name: [3-(3,4-dimethylphenyl)-2-[(4-hydroxy-3-methoxy-phenyl)methylcarbamoylamino]propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-(3,4-dimethylphenyl)-2-[[[(4-hydroxy-3-methoxyphenyl)methylamino]-oxomethyl]amino]propyl] ester IUPAC Name: [3-(3,4-dimethylphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylcarbamoylamino]propyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-(3,4-dimethylphenyl)-2-(vanillylcarbamoylamino)propyl] ester Formula: C25H34N2O5 MolecularWeight: 442.54786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(COC(=O)C(C)(C)C)NC(=O)NCC2=CC(=C(C=C2)O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC(COC(=O)C(C)(C)C)NC(=O)NCC2=CC(=C(C=C2)O)OC)C

InChI

InChI=1S/C25H34N2O5/c1-16-7-8-18(11-17(16)2)12-20(15-32-23(29)25(3,4)5)27-24(30)26-14-19-9-10-21(28)22(13-19)31-6/h7-11,13,20,28H,12,14-15H2,1-6H3,(H2,26,27,30)