methyl 4-ethynyl-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzoate

Systemtic Name: methyl 4-ethynyl-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzoate Openeye Name: methyl 2-[5-(tert-butoxycarbonylamino)pentoxy]-4-ethynyl-benzoate CAS Name: 4-ethynyl-2-[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentoxy]benzoic acid methyl ester IUPAC Name: methyl 4-ethynyl-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzoate Traditional Name: 2-[5-(tert-butoxycarbonylamino)pentoxy]-4-ethynyl-benzoic acid methyl ester Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCOC1=C(C=CC(=C1)C#C)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCOC1=C(C=CC(=C1)C#C)C(=O)OC

InChI

InChI=1S/C20H27NO5/c1-6-15-10-11-16(18(22)24-5)17(14-15)25-13-9-7-8-12-21-19(23)26-20(2,3)4/h1,10-11,14H,7-9,12-13H2,2-5H3,(H,21,23)