ethyl (E,4S,5R)-7-(4,5-diphenyl-1,3-oxazol-2-yl)-4-methyl-5-oxidanyl-hept-2-enoate

Systemtic Name: ethyl (E,4S,5R)-7-(4,5-diphenyl-1,3-oxazol-2-yl)-4-methyl-5-oxidanyl-hept-2-enoate Openeye Name: ethyl (E,4S,5R)-7-(4,5-diphenyloxazol-2-yl)-5-hydroxy-4-methyl-hept-2-enoate CAS Name: (E,4S,5R)-7-(4,5-diphenyl-2-oxazolyl)-5-hydroxy-4-methyl-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,4S,5R)-7-(4,5-diphenyl-1,3-oxazol-2-yl)-5-hydroxy-4-methylhept-2-enoate Traditional Name: (E,4S,5R)-7-(4,5-diphenyloxazol-2-yl)-5-hydroxy-4-methyl-hept-2-enoic acid ethyl ester Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(C)C(CCC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)/C=C/[C@H](C)[C@@H](CCC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C25H27NO4/c1-3-29-23(28)17-14-18(2)21(27)15-16-22-26-24(19-10-6-4-7-11-19)25(30-22)20-12-8-5-9-13-20/h4-14,17-18,21,27H,3,15-16H2,1-2H3/b17-14+/t18-,21+/m0/s1