[6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 4-phenylbenzoate

Systemtic Name: [6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 4-phenylbenzoate Openeye Name: [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-4-pyridazinyl] ester IUPAC Name: [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)pyridazin-4-yl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] ester Formula: C27H21ClN2O3 MolecularWeight: 456.92024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=NN=C(C=C2OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)Cl)C5CC5

Isomeric SMILES

CC1=CC=CC(=C1OC2=NN=C(C=C2OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)Cl)C5CC5

InChI

InChI=1S/C27H21ClN2O3/c1-17-6-5-9-22(20-12-13-20)25(17)33-26-23(16-24(28)29-30-26)32-27(31)21-14-10-19(11-15-21)18-7-3-2-4-8-18/h2-11,14-16,20H,12-13H2,1H3