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

Systemtic Name: octyl 4-[3-methanoyl-7-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzoate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C34H38N2O3 MolecularWeight: 522.67712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H38N2O3/c1-2-3-4-5-6-9-22-39-34(38)26-18-20-29(21-19-26)36-33-28(15-11-17-31(33)32(24-37)35-36)23-27-14-10-13-25-12-7-8-16-30(25)27/h7-8,10,12-14,16,18-21,24,28H,2-6,9,11,15,17,22-23H2,1H3