[2-oxidanylidene-2-[(3R,7E)-3-phenyl-7-(phenylmethylidene)-3,4,5,6-tetrahydro-1H-indazol-2-yl]ethyl] 2-methoxyethanoate

Systemtic Name: [2-oxidanylidene-2-[(3R,7E)-3-phenyl-7-(phenylmethylidene)-3,4,5,6-tetrahydro-1H-indazol-2-yl]ethyl] 2-methoxyethanoate Openeye Name: [2-[(3R,7E)-7-benzylidene-3-phenyl-3,4,5,6-tetrahydro-1H-indazol-2-yl]-2-oxo-ethyl] 2-methoxyacetate CAS Name: 2-methoxyacetic acid [2-oxo-2-[(3R,7E)-3-phenyl-7-(phenylmethylene)-3,4,5,6-tetrahydro-1H-indazol-2-yl]ethyl] ester IUPAC Name: [2-[(3R,7E)-7-benzylidene-3-phenyl-3,4,5,6-tetrahydro-1H-indazol-2-yl]-2-oxoethyl] 2-methoxyacetate Traditional Name: 2-methoxyacetic acid [2-[(3R,7E)-7-benzal-3-phenyl-3,4,5,6-tetrahydro-1H-indazol-2-yl]-2-keto-ethyl] ester Formula: C25H26N2O4 MolecularWeight: 418.48494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)OCC(=O)N1C(C2=C(N1)C(=CC3=CC=CC=C3)CCC2)C4=CC=CC=C4

Isomeric SMILES

COCC(=O)OCC(=O)N1[C@@H](C2=C(N1)/C(=C/C3=CC=CC=C3)/CCC2)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O4/c1-30-17-23(29)31-16-22(28)27-25(19-11-6-3-7-12-19)21-14-8-13-20(24(21)26-27)15-18-9-4-2-5-10-18/h2-7,9-12,15,25-26H,8,13-14,16-17H2,1H3/b20-15+/t25-/m1/s1