2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-octoxyphenyl)ethanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-octoxyphenyl)ethanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-2-(4-octoxyphenyl)acetic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(4-octoxyphenyl)acetic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-octoxyphenyl)acetic acid Traditional Name: 2-(tert-butoxycarbonylamino)-2-(4-octoxyphenyl)acetic acid Formula: C21H33NO5 MolecularWeight: 379.49042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H33NO5/c1-5-6-7-8-9-10-15-26-17-13-11-16(12-14-17)18(19(23)24)22-20(25)27-21(2,3)4/h11-14,18H,5-10,15H2,1-4H3,(H,22,25)(H,23,24)