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

Systemtic Name: ethyl (3R,4R,5S)-3-pentan-3-yloxy-4-[(phenylmethylidene)amino]-5-(prop-2-enylamino)cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S)-5-(allylamino)-4-(benzylideneamino)-3-(1-ethylpropoxy)cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-3-pentan-3-yloxy-4-[(phenylmethylene)amino]-5-(prop-2-enylamino)-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S)-4-(benzylideneamino)-3-pentan-3-yloxy-5-(prop-2-enylamino)cyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-5-(allylamino)-4-(benzalamino)-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid ethyl ester Formula: C24H34N2O3 MolecularWeight: 398.53836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1N=CC2=CC=CC=C2)NCC=C)C(=O)OCC

Isomeric SMILES

CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1N=CC2=CC=CC=C2)NCC=C)C(=O)OCC

InChI

InChI=1S/C24H34N2O3/c1-5-14-25-21-15-19(24(27)28-8-4)16-22(29-20(6-2)7-3)23(21)26-17-18-12-10-9-11-13-18/h5,9-13,16-17,20-23,25H,1,6-8,14-15H2,2-4H3/t21-,22+,23+/m0/s1