(2S)-2-[(4-methoxyphenyl)methyl-[(Z,4R)-1-phenylmethoxynon-7-en-2-yn-4-yl]amino]propan-1-ol

Systemtic Name: (2S)-2-[(4-methoxyphenyl)methyl-[(Z,4R)-1-phenylmethoxynon-7-en-2-yn-4-yl]amino]propan-1-ol Openeye Name: (2S)-2-[[(Z,1R)-1-(3-benzyloxyprop-1-ynyl)hex-4-enyl]-[(4-methoxyphenyl)methyl]amino]propan-1-ol CAS Name: (2S)-2-[(4-methoxyphenyl)methyl-[(Z,4R)-1-phenylmethoxynon-7-en-2-yn-4-yl]amino]-1-propanol IUPAC Name: (2S)-2-[(4-methoxyphenyl)methyl-[(Z,4R)-1-phenylmethoxynon-7-en-2-yn-4-yl]amino]propan-1-ol Traditional Name: (2S)-2-[[(Z,1R)-1-(3-benzoxyprop-1-ynyl)hex-4-enyl]-p-anisyl-amino]propan-1-ol Formula: C27H35NO3 MolecularWeight: 421.5717

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCCC(C#CCOCC1=CC=CC=C1)N(CC2=CC=C(C=C2)OC)C(C)CO

Isomeric SMILES

C/C=C\CC[C@H](C#CCOCC1=CC=CC=C1)N(CC2=CC=C(C=C2)OC)[C@@H](C)CO

InChI

InChI=1S/C27H35NO3/c1-4-5-7-13-26(14-10-19-31-22-25-11-8-6-9-12-25)28(23(2)21-29)20-24-15-17-27(30-3)18-16-24/h4-6,8-9,11-12,15-18,23,26,29H,7,13,19-22H2,1-3H3/b5-4-/t23-,26+/m0/s1