(2S,3S,4S)-4-[(4-methoxyphenyl)amino]-4-methyl-3-phenylmethoxy-hex-5-yn-2-ol

Systemtic Name: (2S,3S,4S)-4-[(4-methoxyphenyl)amino]-4-methyl-3-phenylmethoxy-hex-5-yn-2-ol Openeye Name: (2S,3S,4S)-3-benzyloxy-4-(4-methoxyanilino)-4-methyl-hex-5-yn-2-ol CAS Name: (2S,3S,4S)-4-(4-methoxyanilino)-4-methyl-3-phenylmethoxy-5-hexyn-2-ol IUPAC Name: (2S,3S,4S)-4-(4-methoxyanilino)-4-methyl-3-phenylmethoxyhex-5-yn-2-ol Traditional Name: (2S,3S,4S)-3-benzoxy-4-methyl-4-(p-anisidino)hex-5-yn-2-ol Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C)(C#C)NC1=CC=C(C=C1)OC)OCC2=CC=CC=C2)O

Isomeric SMILES

C[C@@H]([C@H]([C@](C)(C#C)NC1=CC=C(C=C1)OC)OCC2=CC=CC=C2)O

InChI

InChI=1S/C21H25NO3/c1-5-21(3,22-18-11-13-19(24-4)14-12-18)20(16(2)23)25-15-17-9-7-6-8-10-17/h1,6-14,16,20,22-23H,15H2,2-4H3/t16-,20+,21-/m0/s1