2-[2-(3-methoxy-4-oxidanyl-phenyl)ethanoylamino]propyl 3-(3,4-dimethylphenyl)-2,2-dimethyl-propanoate

Systemtic Name: 2-[2-(3-methoxy-4-oxidanyl-phenyl)ethanoylamino]propyl 3-(3,4-dimethylphenyl)-2,2-dimethyl-propanoate Openeye Name: 2-[[2-(4-hydroxy-3-methoxy-phenyl)acetyl]amino]propyl 3-(3,4-dimethylphenyl)-2,2-dimethyl-propanoate CAS Name: 3-(3,4-dimethylphenyl)-2,2-dimethylpropanoic acid 2-[[2-(4-hydroxy-3-methoxyphenyl)-1-oxoethyl]amino]propyl ester IUPAC Name: 2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]propyl 3-(3,4-dimethylphenyl)-2,2-dimethylpropanoate Traditional Name: 3-(3,4-dimethylphenyl)-2,2-dimethyl-propionic acid 2-(homovanilloylamino)propyl ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(C)(C)C(=O)OCC(C)NC(=O)CC2=CC(=C(C=C2)O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC(C)(C)C(=O)OCC(C)NC(=O)CC2=CC(=C(C=C2)O)OC)C

InChI

InChI=1S/C25H33NO5/c1-16-7-8-20(11-17(16)2)14-25(4,5)24(29)31-15-18(3)26-23(28)13-19-9-10-21(27)22(12-19)30-6/h7-12,18,27H,13-15H2,1-6H3,(H,26,28)