2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]-phenyl-methyl]prop-2-enoic acid

Systemtic Name: 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]-phenyl-methyl]prop-2-enoic acid Openeye Name: 2-[[6-(tert-butoxycarbonylamino)-3-pyridyl]-phenyl-methyl]prop-2-enoic acid CAS Name: 2-[[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinyl]-phenylmethyl]-2-propenoic acid IUPAC Name: 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]-phenylmethyl]prop-2-enoic acid Traditional Name: 2-[[6-(tert-butoxycarbonylamino)-3-pyridyl]-phenyl-methyl]acrylic acid Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4/c1-13(18(23)24)17(14-8-6-5-7-9-14)15-10-11-16(21-12-15)22-19(25)26-20(2,3)4/h5-12,17H,1H2,2-4H3,(H,23,24)(H,21,22,25)