[2-cyclohexyl-4-(ethylamino)phenyl] 2-oxidanylhex-4-ynoate

Systemtic Name: [2-cyclohexyl-4-(ethylamino)phenyl] 2-oxidanylhex-4-ynoate Openeye Name: [2-cyclohexyl-4-(ethylamino)phenyl] 2-hydroxyhex-4-ynoate CAS Name: 2-hydroxy-4-hexynoic acid [2-cyclohexyl-4-(ethylamino)phenyl] ester IUPAC Name: [2-cyclohexyl-4-(ethylamino)phenyl] 2-hydroxyhex-4-ynoate Traditional Name: 2-hydroxyhex-4-ynoic acid [2-cyclohexyl-4-(ethylamino)phenyl] ester Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC(=C(C=C1)OC(=O)C(CC#CC)O)C2CCCCC2

Isomeric SMILES

CCNC1=CC(=C(C=C1)OC(=O)C(CC#CC)O)C2CCCCC2

InChI

InChI=1S/C20H27NO3/c1-3-5-11-18(22)20(23)24-19-13-12-16(21-4-2)14-17(19)15-9-7-6-8-10-15/h12-15,18,21-22H,4,6-11H2,1-2H3