tert-butyl (2S)-2-[[1-(2,4-dimethyl-6-oxidanyl-phenyl)naphthalen-2-yl]carbonylamino]propanoate

Systemtic Name: tert-butyl (2S)-2-[[1-(2,4-dimethyl-6-oxidanyl-phenyl)naphthalen-2-yl]carbonylamino]propanoate Openeye Name: tert-butyl (2S)-2-[[1-(2-hydroxy-4,6-dimethyl-phenyl)naphthalene-2-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[1-(2-hydroxy-4,6-dimethylphenyl)-2-naphthalenyl]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[1-(2-hydroxy-4,6-dimethylphenyl)naphthalene-2-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[1-(2-hydroxy-4,6-dimethyl-phenyl)-2-naphthoyl]amino]propionic acid tert-butyl ester Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)O)C2=C(C=CC3=CC=CC=C32)C(=O)NC(C)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)O)C2=C(C=CC3=CC=CC=C32)C(=O)N[C@@H](C)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C26H29NO4/c1-15-13-16(2)22(21(28)14-15)23-19-10-8-7-9-18(19)11-12-20(23)24(29)27-17(3)25(30)31-26(4,5)6/h7-14,17,28H,1-6H3,(H,27,29)/t17-/m0/s1