[4-[2,2-bis(oxidanyl)ethylamino]phenyl] 2-cyclohexyl-2-oxidanyl-hex-4-ynoate

Systemtic Name: [4-[2,2-bis(oxidanyl)ethylamino]phenyl] 2-cyclohexyl-2-oxidanyl-hex-4-ynoate Openeye Name: [4-(2,2-dihydroxyethylamino)phenyl] 2-cyclohexyl-2-hydroxy-hex-4-ynoate CAS Name: 2-cyclohexyl-2-hydroxy-4-hexynoic acid [4-(2,2-dihydroxyethylamino)phenyl] ester IUPAC Name: [4-(2,2-dihydroxyethylamino)phenyl] 2-cyclohexyl-2-hydroxyhex-4-ynoate Traditional Name: 2-cyclohexyl-2-hydroxy-hex-4-ynoic acid [4-(2,2-dihydroxyethylamino)phenyl] ester Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(C1CCCCC1)(C(=O)OC2=CC=C(C=C2)NCC(O)O)O

Isomeric SMILES

CC#CCC(C1CCCCC1)(C(=O)OC2=CC=C(C=C2)NCC(O)O)O

InChI

InChI=1S/C20H27NO5/c1-2-3-13-20(25,15-7-5-4-6-8-15)19(24)26-17-11-9-16(10-12-17)21-14-18(22)23/h9-12,15,18,21-23,25H,4-8,13-14H2,1H3