2-methylidene-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]-4-phenyl-butanoic acid

Systemtic Name: 2-methylidene-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]-4-phenyl-butanoic acid Openeye Name: 3-[6-(tert-butoxycarbonylamino)-3-pyridyl]-2-methylene-4-phenyl-butanoic acid CAS Name: 2-methylene-3-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinyl]-4-phenylbutanoic acid IUPAC Name: 2-methylidene-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]-4-phenylbutanoic acid Traditional Name: 2-[1-[6-(tert-butoxycarbonylamino)-3-pyridyl]-2-phenyl-ethyl]acrylic acid Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC=C(C=C1)C(CC2=CC=CC=C2)C(=C)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC=C(C=C1)C(CC2=CC=CC=C2)C(=C)C(=O)O

InChI

InChI=1S/C21H24N2O4/c1-14(19(24)25)17(12-15-8-6-5-7-9-15)16-10-11-18(22-13-16)23-20(26)27-21(2,3)4/h5-11,13,17H,1,12H2,2-4H3,(H,24,25)(H,22,23,26)