7-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]hept-6-ynoic acid

Systemtic Name: 7-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]hept-6-ynoic acid Openeye Name: 7-[4-[(tert-butoxycarbonylamino)methyl]phenyl]hept-6-ynoic acid CAS Name: 7-[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]-6-heptynoic acid IUPAC Name: 7-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]hept-6-ynoic acid Traditional Name: 7-[4-[(tert-butoxycarbonylamino)methyl]phenyl]hept-6-ynoic acid Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C#CCCCCC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C#CCCCCC(=O)O

InChI

InChI=1S/C19H25NO4/c1-19(2,3)24-18(23)20-14-16-12-10-15(11-13-16)8-6-4-5-7-9-17(21)22/h10-13H,4-5,7,9,14H2,1-3H3,(H,20,23)(H,21,22)