[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-quinazolin-4-yloxyethanoate

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-quinazolin-4-yloxyethanoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-quinazolin-4-yloxyacetate CAS Name: 2-(4-quinazolinyloxy)acetic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-quinazolin-4-yloxyacetate Traditional Name: 2-quinazolin-4-yloxyacetic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)COC2=NC=NC3=CC=CC=C32)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)COC2=NC=NC3=CC=CC=C32)C(C)C

InChI

InChI=1S/C20H26N2O3/c1-13(2)15-9-8-14(3)10-18(15)25-19(23)11-24-20-16-6-4-5-7-17(16)21-12-22-20/h4-7,12-15,18H,8-11H2,1-3H3/t14-,15+,18-/m0/s1