methyl 2-cycloheptyl-2-oxidanyl-2-[4-(quinoxalin-2-ylmethoxy)phenyl]ethanoate

Systemtic Name: methyl 2-cycloheptyl-2-oxidanyl-2-[4-(quinoxalin-2-ylmethoxy)phenyl]ethanoate Openeye Name: methyl 2-cycloheptyl-2-hydroxy-2-[4-(quinoxalin-2-ylmethoxy)phenyl]acetate CAS Name: 2-cycloheptyl-2-hydroxy-2-[4-(2-quinoxalinylmethoxy)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-cycloheptyl-2-hydroxy-2-[4-(quinoxalin-2-ylmethoxy)phenyl]acetate Traditional Name: 2-cycloheptyl-2-hydroxy-2-[4-(quinoxalin-2-ylmethoxy)phenyl]acetic acid methyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCCCCC1)(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4N=C3)O

Isomeric SMILES

COC(=O)C(C1CCCCCC1)(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4N=C3)O

InChI

InChI=1S/C25H28N2O4/c1-30-24(28)25(29,18-8-4-2-3-5-9-18)19-12-14-21(15-13-19)31-17-20-16-26-22-10-6-7-11-23(22)27-20/h6-7,10-16,18,29H,2-5,8-9,17H2,1H3