ethyl (3R,4S,5R)-3-[(diphenylmethyl)amino]-4,5-bis(oxidanyl)cyclohexene-1-carboxylate

Systemtic Name: ethyl (3R,4S,5R)-3-[(diphenylmethyl)amino]-4,5-bis(oxidanyl)cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4S,5R)-3-(benzhydrylamino)-4,5-dihydroxy-cyclohexene-1-carboxylate CAS Name: (3R,4S,5R)-3-[(diphenylmethyl)amino]-4,5-dihydroxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S,5R)-3-(benzhydrylamino)-4,5-dihydroxycyclohexene-1-carboxylate Traditional Name: (3R,4S,5R)-3-(benzhydrylamino)-4,5-dihydroxy-cyclohexene-1-carboxylic acid ethyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(C(C(C1)O)O)NC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C[C@H]([C@@H]([C@@H](C1)O)O)NC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO4/c1-2-27-22(26)17-13-18(21(25)19(24)14-17)23-20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,18-21,23-25H,2,14H2,1H3/t18-,19-,21+/m1/s1