methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-morpholin-4-ylphenyl)pent-4-ynoate

Systemtic Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-morpholin-4-ylphenyl)pent-4-ynoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-5-(4-morpholinophenyl)pent-4-ynoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-[4-(4-morpholinyl)phenyl]-4-pentynoic acid methyl ester IUPAC Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-morpholin-4-ylphenyl)pent-4-ynoate Traditional Name: 2-(tert-butoxycarbonylamino)-5-(4-morpholinophenyl)pent-4-ynoic acid methyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC#CC1=CC=C(C=C1)N2CCOCC2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC#CC1=CC=C(C=C1)N2CCOCC2)C(=O)OC

InChI

InChI=1S/C21H28N2O5/c1-21(2,3)28-20(25)22-18(19(24)26-4)7-5-6-16-8-10-17(11-9-16)23-12-14-27-15-13-23/h8-11,18H,7,12-15H2,1-4H3,(H,22,25)