[4-(3,4-dimethylphenyl)-1-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamoylamino]butyl] 2,2-dimethylpropanoate

Systemtic Name: [4-(3,4-dimethylphenyl)-1-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamoylamino]butyl] 2,2-dimethylpropanoate Openeye Name: [4-(3,4-dimethylphenyl)-1-[(4-hydroxy-3-methoxy-phenyl)methylcarbamoylamino]butyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-(3,4-dimethylphenyl)-1-[[[(4-hydroxy-3-methoxyphenyl)methylamino]-oxomethyl]amino]butyl] ester IUPAC Name: [4-(3,4-dimethylphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylcarbamoylamino]butyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-(3,4-dimethylphenyl)-1-(vanillylcarbamoylamino)butyl] ester Formula: C26H36N2O5 MolecularWeight: 456.57444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O5/c1-17-10-11-19(14-18(17)2)8-7-9-23(33-24(30)26(3,4)5)28-25(31)27-16-20-12-13-21(29)22(15-20)32-6/h10-15,23,29H,7-9,16H2,1-6H3,(H2,27,28,31)