ethyl (3R,4R,5S)-4-acetamido-5-azido-3-[3-(4-phenylphenyl)propoxy]cyclohexene-1-carboxylate

Systemtic Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-[3-(4-phenylphenyl)propoxy]cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-[3-(4-phenylphenyl)propoxy]cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-4-acetamido-5-azido-3-[3-(4-phenylphenyl)propoxy]-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-[3-(4-phenylphenyl)propoxy]cyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-4-acetamido-5-azido-3-[3-(4-phenylphenyl)propoxy]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)OCCCC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C[C@H]([C@@H]([C@H](C1)N=[N+]=[N-])NC(=O)C)OCCCC2=CC=C(C=C2)C3=CC=CC=C3

InChI

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