2-methyloct-4-yn-3-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: 2-methyloct-4-yn-3-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate Openeye Name: 1-isopropylhex-2-ynyl 2-(tert-butoxycarbonylamino)-3-phenyl-propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid 2-methyloct-4-yn-3-yl ester IUPAC Name: 2-methyloct-4-yn-3-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid 1-isopropylhex-2-ynyl ester Formula: C23H33NO4 MolecularWeight: 387.51242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO4/c1-7-8-10-15-20(17(2)3)27-21(25)19(16-18-13-11-9-12-14-18)24-22(26)28-23(4,5)6/h9,11-14,17,19-20H,7-8,16H2,1-6H3,(H,24,26)