tert-butyl N-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ynyl]pyridin-3-yl]carbamate

Systemtic Name: tert-butyl N-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ynyl]pyridin-3-yl]carbamate Openeye Name: tert-butyl N-[4-[3-(tert-butoxycarbonylamino)prop-1-ynyl]-3-pyridyl]carbamate CAS Name: N-[4-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]prop-1-ynyl]-3-pyridinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ynyl]pyridin-3-yl]carbamate Traditional Name: N-[4-[3-(tert-butoxycarbonylamino)prop-1-ynyl]-3-pyridyl]carbamic acid tert-butyl ester Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC#CC1=C(C=NC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NCC#CC1=C(C=NC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H25N3O4/c1-17(2,3)24-15(22)20-10-7-8-13-9-11-19-12-14(13)21-16(23)25-18(4,5)6/h9,11-12H,10H2,1-6H3,(H,20,22)(H,21,23)