2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(oxan-2-yloxy)phenyl]but-3-enoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(oxan-2-yloxy)phenyl]but-3-enoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(3-tetrahydropyran-2-yloxyphenyl)but-3-enoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[3-(2-oxanyloxy)phenyl]-3-butenoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(oxan-2-yloxy)phenyl]but-3-enoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(3-tetrahydropyran-2-yloxyphenyl)but-3-enoic acid Formula: C20H27NO6 MolecularWeight: 377.43148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(=C)C1=CC(=CC=C1)OC2CCCCO2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(C(=C)C1=CC(=CC=C1)OC2CCCCO2)C(=O)O

InChI

InChI=1S/C20H27NO6/c1-13(17(18(22)23)21-19(24)27-20(2,3)4)14-8-7-9-15(12-14)26-16-10-5-6-11-25-16/h7-9,12,16-17H,1,5-6,10-11H2,2-4H3,(H,21,24)(H,22,23)