methyl 4-[3-methanoyl-7-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzoate

Systemtic Name: methyl 4-[3-methanoyl-7-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzoate Openeye Name: methyl 4-[3-formyl-7-(1-naphthylmethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzoate CAS Name: 4-[3-formyl-7-(1-naphthalenylmethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-formyl-7-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzoate Traditional Name: 4-[3-formyl-7-(1-naphthylmethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzoic acid methyl ester Formula: C27H24N2O3 MolecularWeight: 424.49106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C3=C(CCCC3CC4=CC=CC5=CC=CC=C54)C(=N2)C=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C3=C(CCCC3CC4=CC=CC5=CC=CC=C54)C(=N2)C=O

InChI

InChI=1S/C27H24N2O3/c1-32-27(31)19-12-14-22(15-13-19)29-26-21(9-5-11-24(26)25(17-30)28-29)16-20-8-4-7-18-6-2-3-10-23(18)20/h2-4,6-8,10,12-15,17,21H,5,9,11,16H2,1H3