[isocyano-(6-morpholin-4-ylnaphthalen-2-yl)methyl] 3-(3,3-dimethyloxiran-2-yl)propanoate

Systemtic Name: [isocyano-(6-morpholin-4-ylnaphthalen-2-yl)methyl] 3-(3,3-dimethyloxiran-2-yl)propanoate Openeye Name: [isocyano-(6-morpholino-2-naphthyl)methyl] 3-(3,3-dimethyloxiran-2-yl)propanoate CAS Name: 3-(3,3-dimethyl-2-oxiranyl)propanoic acid [isocyano-[6-(4-morpholinyl)-2-naphthalenyl]methyl] ester IUPAC Name: [isocyano-(6-morpholin-4-ylnaphthalen-2-yl)methyl] 3-(3,3-dimethyloxiran-2-yl)propanoate Traditional Name: 3-(3,3-dimethyloxiran-2-yl)propionic acid [isocyano-(6-morpholino-2-naphthyl)methyl] ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(O1)CCC(=O)OC(C2=CC3=C(C=C2)C=C(C=C3)N4CCOCC4)[N+]#[C-])C

Isomeric SMILES

CC1(C(O1)CCC(=O)OC(C2=CC3=C(C=C2)C=C(C=C3)N4CCOCC4)[N+]#[C-])C

InChI

InChI=1S/C23H26N2O4/c1-23(2)20(29-23)8-9-21(26)28-22(24-3)18-5-4-17-15-19(7-6-16(17)14-18)25-10-12-27-13-11-25/h4-7,14-15,20,22H,8-13H2,1-2H3