ethyl (3R,4R,5S)-4-acetamido-5-azido-3-(1,7-diphenylheptan-4-yloxy)cyclohexene-1-carboxylate

Systemtic Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-(1,7-diphenylheptan-4-yloxy)cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-[4-phenyl-1-(3-phenylpropyl)butoxy]cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-4-acetamido-5-azido-3-(1,7-diphenylheptan-4-yloxy)-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-(1,7-diphenylheptan-4-yloxy)cyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-4-acetamido-5-azido-3-[4-phenyl-1-(3-phenylpropyl)butoxy]cyclohexene-1-carboxylic acid ethyl ester Formula: C30H38N4O4 MolecularWeight: 518.64712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(C(C(C1)N=[N+]=[N-])NC(=O)C)OC(CCCC2=CC=CC=C2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C[C@H]([C@@H]([C@H](C1)N=[N+]=[N-])NC(=O)C)OC(CCCC2=CC=CC=C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C30H38N4O4/c1-3-37-30(36)25-20-27(33-34-31)29(32-22(2)35)28(21-25)38-26(18-10-16-23-12-6-4-7-13-23)19-11-17-24-14-8-5-9-15-24/h4-9,12-15,21,26-29H,3,10-11,16-20H2,1-2H3,(H,32,35)/t27-,28+,29+/m0/s1