ethyl (3R,4R,5S)-4-acetamido-5-azido-3-(1,3-diphenylpropan-2-yloxy)cyclohexene-1-carboxylate

Systemtic Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-(1,3-diphenylpropan-2-yloxy)cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-(1-benzyl-2-phenyl-ethoxy)cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-4-acetamido-5-azido-3-(1,3-diphenylpropan-2-yloxy)-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-(1,3-diphenylpropan-2-yloxy)cyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-4-acetamido-5-azido-3-(1-benzyl-2-phenyl-ethoxy)cyclohexene-1-carboxylic acid ethyl ester Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(C(C(C1)N=[N+]=[N-])NC(=O)C)OC(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C[C@H]([C@@H]([C@H](C1)N=[N+]=[N-])NC(=O)C)OC(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C26H30N4O4/c1-3-33-26(32)21-16-23(29-30-27)25(28-18(2)31)24(17-21)34-22(14-19-10-6-4-7-11-19)15-20-12-8-5-9-13-20/h4-13,17,22-25H,3,14-16H2,1-2H3,(H,28,31)/t23-,24+,25+/m0/s1