[(2-oxidanyl-1-phenyl-ethyl)amino] 6,6-dimethyloct-4-ynoate

Systemtic Name: [(2-oxidanyl-1-phenyl-ethyl)amino] 6,6-dimethyloct-4-ynoate Openeye Name: [(2-hydroxy-1-phenyl-ethyl)amino] 6,6-dimethyloct-4-ynoate CAS Name: 6,6-dimethyl-4-octynoic acid [(2-hydroxy-1-phenylethyl)amino] ester IUPAC Name: [(2-hydroxy-1-phenylethyl)amino] 6,6-dimethyloct-4-ynoate Traditional Name: 6,6-dimethyloct-4-ynoic acid [(2-hydroxy-1-phenyl-ethyl)amino] ester Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C#CCCC(=O)ONC(CO)C1=CC=CC=C1

Isomeric SMILES

CCC(C)(C)C#CCCC(=O)ONC(CO)C1=CC=CC=C1

InChI

InChI=1S/C18H25NO3/c1-4-18(2,3)13-9-8-12-17(21)22-19-16(14-20)15-10-6-5-7-11-15/h5-7,10-11,16,19-20H,4,8,12,14H2,1-3H3