[(2S,5S)-8-dec-1-ynyl-1-methyl-3-oxidanylidene-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-5-yl]methyl ethanoate

Systemtic Name: [(2S,5S)-8-dec-1-ynyl-1-methyl-3-oxidanylidene-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-5-yl]methyl ethanoate Openeye Name: [(2S,5S)-8-dec-1-ynyl-2-isopropyl-1-methyl-3-oxo-2,4,5,6-tetrahydro-1,4-benzodiazocin-5-yl]methyl acetate CAS Name: acetic acid [(2S,5S)-8-dec-1-ynyl-1-methyl-3-oxo-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-5-yl]methyl ester IUPAC Name: [(2S,5S)-8-dec-1-ynyl-1-methyl-3-oxo-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-5-yl]methyl acetate Traditional Name: acetic acid [(2S,5S)-8-dec-1-ynyl-2-isopropyl-3-keto-1-methyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-5-yl]methyl ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=CC2=C(C=C1)N(C(C(=O)NC(C2)COC(=O)C)C(C)C)C

Isomeric SMILES

CCCCCCCCC#CC1=CC2=C(C=C1)N([C@H](C(=O)N[C@@H](C2)COC(=O)C)C(C)C)C

InChI

InChI=1S/C27H40N2O3/c1-6-7-8-9-10-11-12-13-14-22-15-16-25-23(17-22)18-24(19-32-21(4)30)28-27(31)26(20(2)3)29(25)5/h15-17,20,24,26H,6-12,18-19H2,1-5H3,(H,28,31)/t24-,26-/m0/s1