[2-oxidanylidene-2-[3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] 4-ethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-[3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] 4-ethoxybenzoate Openeye Name: [2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-oxo-ethyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [2-oxo-2-[3-phenyl-7-(phenylmethylene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] ester IUPAC Name: [2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-oxoethyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [2-(7-benzal-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-keto-ethyl] ester Formula: C31H30N2O4 MolecularWeight: 494.5809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OCC(=O)N2C(C3CCCC(=CC4=CC=CC=C4)C3=N2)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OCC(=O)N2C(C3CCCC(=CC4=CC=CC=C4)C3=N2)C5=CC=CC=C5

InChI

InChI=1S/C31H30N2O4/c1-2-36-26-18-16-24(17-19-26)31(35)37-21-28(34)33-30(23-12-7-4-8-13-23)27-15-9-14-25(29(27)32-33)20-22-10-5-3-6-11-22/h3-8,10-13,16-20,27,30H,2,9,14-15,21H2,1H3