methyl 7-[5-methoxy-4-(4-nitrophenyl)-1,3-oxazol-2-yl]-7-morpholin-4-yl-hept-2-ynoate

Systemtic Name: methyl 7-[5-methoxy-4-(4-nitrophenyl)-1,3-oxazol-2-yl]-7-morpholin-4-yl-hept-2-ynoate Openeye Name: methyl 7-[5-methoxy-4-(4-nitrophenyl)oxazol-2-yl]-7-morpholino-hept-2-ynoate CAS Name: 7-[5-methoxy-4-(4-nitrophenyl)-2-oxazolyl]-7-(4-morpholinyl)-2-heptynoic acid methyl ester IUPAC Name: methyl 7-[5-methoxy-4-(4-nitrophenyl)-1,3-oxazol-2-yl]-7-morpholin-4-ylhept-2-ynoate Traditional Name: 7-[5-methoxy-4-(4-nitrophenyl)oxazol-2-yl]-7-morpholino-hept-2-ynoic acid methyl ester Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=C(O1)C(CCCC#CC(=O)OC)N2CCOCC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(N=C(O1)C(CCCC#CC(=O)OC)N2CCOCC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O7/c1-29-19(26)7-5-3-4-6-18(24-12-14-31-15-13-24)21-23-20(22(30-2)32-21)16-8-10-17(11-9-16)25(27)28/h8-11,18H,3-4,6,12-15H2,1-2H3