methyl 3-[(1R)-3-(tert-butylamino)-3-oxidanylidene-1-phenyl-propyl]-2-oxidanyl-benzoate

Systemtic Name: methyl 3-[(1R)-3-(tert-butylamino)-3-oxidanylidene-1-phenyl-propyl]-2-oxidanyl-benzoate Openeye Name: methyl 3-[(1R)-3-(tert-butylamino)-3-oxo-1-phenyl-propyl]-2-hydroxy-benzoate CAS Name: 3-[(1R)-3-(tert-butylamino)-3-oxo-1-phenylpropyl]-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 3-[(1R)-3-(tert-butylamino)-3-oxo-1-phenylpropyl]-2-hydroxybenzoate Traditional Name: 3-[(1R)-3-(tert-butylamino)-3-keto-1-phenyl-propyl]-2-hydroxy-benzoic acid methyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CC(C1=CC=CC=C1)C2=CC=CC(=C2O)C(=O)OC

Isomeric SMILES

CC(C)(C)NC(=O)C[C@H](C1=CC=CC=C1)C2=CC=CC(=C2O)C(=O)OC

InChI

InChI=1S/C21H25NO4/c1-21(2,3)22-18(23)13-17(14-9-6-5-7-10-14)15-11-8-12-16(19(15)24)20(25)26-4/h5-12,17,24H,13H2,1-4H3,(H,22,23)/t17-/m1/s1