ethyl (3R,4R,5S)-4-acetamido-5-azido-3-[(3S)-1-phenylpentan-3-yl]oxy-cyclohexene-1-carboxylate

Systemtic Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-[(3S)-1-phenylpentan-3-yl]oxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-[(1S)-1-ethyl-3-phenyl-propoxy]cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-4-acetamido-5-azido-3-[(3S)-1-phenylpentan-3-yl]oxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-[(3S)-1-phenylpentan-3-yl]oxycyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-4-acetamido-5-azido-3-[(1S)-1-ethyl-3-phenyl-propoxy]cyclohexene-1-carboxylic acid ethyl ester Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=CC=CC=C1)OC2C=C(CC(C2NC(=O)C)N=[N+]=[N-])C(=O)OCC

Isomeric SMILES

CC[C@@H](CCC1=CC=CC=C1)O[C@@H]2C=C(C[C@@H]([C@H]2NC(=O)C)N=[N+]=[N-])C(=O)OCC

InChI

InChI=1S/C22H30N4O4/c1-4-18(12-11-16-9-7-6-8-10-16)30-20-14-17(22(28)29-5-2)13-19(25-26-23)21(20)24-15(3)27/h6-10,14,18-21H,4-5,11-13H2,1-3H3,(H,24,27)/t18-,19-,20+,21+/m0/s1