tert-butyl-[3-[2-(furan-2-ylmethylcarbamoyl)-1,6-naphthyridin-8-yl]prop-2-ynyl]carbamic acid

Systemtic Name: tert-butyl-[3-[2-(furan-2-ylmethylcarbamoyl)-1,6-naphthyridin-8-yl]prop-2-ynyl]carbamic acid Openeye Name: tert-butyl-[3-[2-(2-furylmethylcarbamoyl)-1,6-naphthyridin-8-yl]prop-2-ynyl]carbamic acid CAS Name: tert-butyl-[3-[2-[(2-furanylmethylamino)-oxomethyl]-1,6-naphthyridin-8-yl]prop-2-ynyl]carbamic acid IUPAC Name: tert-butyl-[3-[2-(furan-2-ylmethylcarbamoyl)-1,6-naphthyridin-8-yl]prop-2-ynyl]carbamic acid Traditional Name: tert-butyl-[3-[2-(2-furfurylcarbamoyl)-1,6-naphthyridin-8-yl]prop-2-ynyl]carbamic acid Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC#CC1=CN=CC2=C1N=C(C=C2)C(=O)NCC3=CC=CO3)C(=O)O

Isomeric SMILES

CC(C)(C)N(CC#CC1=CN=CC2=C1N=C(C=C2)C(=O)NCC3=CC=CO3)C(=O)O

InChI

InChI=1S/C22H22N4O4/c1-22(2,3)26(21(28)29)10-4-6-15-12-23-13-16-8-9-18(25-19(15)16)20(27)24-14-17-7-5-11-30-17/h5,7-9,11-13H,10,14H2,1-3H3,(H,24,27)(H,28,29)