methyl (3S)-3-[(3,5-dimethyl-2-oxidanyl-phenyl)amino]-2,2-dimethyl-3-phenyl-propanoate

Systemtic Name: methyl (3S)-3-[(3,5-dimethyl-2-oxidanyl-phenyl)amino]-2,2-dimethyl-3-phenyl-propanoate Openeye Name: methyl (3S)-3-(2-hydroxy-3,5-dimethyl-anilino)-2,2-dimethyl-3-phenyl-propanoate CAS Name: (3S)-3-(2-hydroxy-3,5-dimethylanilino)-2,2-dimethyl-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (3S)-3-(2-hydroxy-3,5-dimethylanilino)-2,2-dimethyl-3-phenylpropanoate Traditional Name: (3S)-3-(2-hydroxy-3,5-dimethyl-anilino)-2,2-dimethyl-3-phenyl-propionic acid methyl ester Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3/c1-13-11-14(2)17(22)16(12-13)21-18(15-9-7-6-8-10-15)20(3,4)19(23)24-5/h6-12,18,21-22H,1-5H3/t18-/m0/s1