4-[2-chloroethyl(ethyl)amino]but-2-ynyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: 4-[2-chloroethyl(ethyl)amino]but-2-ynyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: 4-[2-chloroethyl(ethyl)amino]but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid 4-[2-chloroethyl(ethyl)amino]but-2-ynyl ester IUPAC Name: 4-[2-chloroethyl(ethyl)amino]but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid 4-[2-chloroethyl(ethyl)amino]but-2-ynyl ester Formula: C22H30ClNO3 MolecularWeight: 391.9315

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCl)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O

Isomeric SMILES

CCN(CCCl)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O

InChI

InChI=1S/C22H30ClNO3/c1-2-24(17-15-23)16-9-10-18-27-21(25)22(26,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3,5-6,11-12,20,26H,2,4,7-8,13-18H2,1H3