ethyl (3aR,7aR)-4-oxidanylidene-1,3,6,7a-tetraphenyl-3a,5,6,7-tetrahydroindazole-5-carboxylate

Systemtic Name: ethyl (3aR,7aR)-4-oxidanylidene-1,3,6,7a-tetraphenyl-3a,5,6,7-tetrahydroindazole-5-carboxylate Openeye Name: ethyl (3aR,7aR)-4-oxo-1,3,6,7a-tetraphenyl-3a,5,6,7-tetrahydroindazole-5-carboxylate CAS Name: (3aR,7aR)-4-oxo-1,3,6,7a-tetraphenyl-3a,5,6,7-tetrahydroindazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,7aR)-4-oxo-1,3,6,7a-tetraphenyl-3a,5,6,7-tetrahydroindazole-5-carboxylate Traditional Name: (3aR,7aR)-4-keto-1,3,6,7a-tetraphenyl-3a,5,6,7-tetrahydroindazole-5-carboxylic acid ethyl ester Formula: C34H30N2O3 MolecularWeight: 514.6136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC2(C(C1=O)C(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1C(C[C@@]2([C@@H](C1=O)C(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H30N2O3/c1-2-39-33(38)29-28(24-15-7-3-8-16-24)23-34(26-19-11-5-12-20-26)30(32(29)37)31(25-17-9-4-10-18-25)35-36(34)27-21-13-6-14-22-27/h3-22,28-30H,2,23H2,1H3/t28?,29?,30-,34+/m1/s1