ethyl (3R,4R,5S)-4-acetamido-5-[bis(prop-2-enyl)amino]-3-pentan-3-yloxy-cyclohexene-1-carboxylate

Systemtic Name: ethyl (3R,4R,5S)-4-acetamido-5-[bis(prop-2-enyl)amino]-3-pentan-3-yloxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S)-4-acetamido-5-(diallylamino)-3-(1-ethylpropoxy)cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-4-acetamido-5-[bis(prop-2-enyl)amino]-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-5-[bis(prop-2-enyl)amino]-3-pentan-3-yloxycyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-4-acetamido-5-(diallylamino)-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid ethyl ester Formula: C22H36N2O4 MolecularWeight: 392.53224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1NC(=O)C)N(CC=C)CC=C)C(=O)OCC

Isomeric SMILES

CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N(CC=C)CC=C)C(=O)OCC

InChI

InChI=1S/C22H36N2O4/c1-7-12-24(13-8-2)19-14-17(22(26)27-11-5)15-20(21(19)23-16(6)25)28-18(9-3)10-4/h7-8,15,18-21H,1-2,9-14H2,3-6H3,(H,23,25)/t19-,20+,21+/m0/s1