tert-butyl 3-[(9-methyl-1,10-phenanthrolin-2-yl)methylamino]-4-propanoyloxy-butanoate

Systemtic Name: tert-butyl 3-[(9-methyl-1,10-phenanthrolin-2-yl)methylamino]-4-propanoyloxy-butanoate Openeye Name: tert-butyl 3-[(9-methyl-1,10-phenanthrolin-2-yl)methylamino]-4-propanoyloxy-butanoate CAS Name: 3-[(9-methyl-1,10-phenanthrolin-2-yl)methylamino]-4-(1-oxopropoxy)butanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(9-methyl-1,10-phenanthrolin-2-yl)methylamino]-4-propanoyloxybutanoate Traditional Name: 3-[(9-methyl-1,10-phenanthrolin-2-yl)methylamino]-4-propionyloxy-butyric acid tert-butyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC(CC(=O)OC(C)(C)C)NCC1=NC2=C(C=CC3=C2N=C(C=C3)C)C=C1

Isomeric SMILES

CCC(=O)OCC(CC(=O)OC(C)(C)C)NCC1=NC2=C(C=CC3=C2N=C(C=C3)C)C=C1

InChI

InChI=1S/C25H31N3O4/c1-6-21(29)31-15-20(13-22(30)32-25(3,4)5)26-14-19-12-11-18-10-9-17-8-7-16(2)27-23(17)24(18)28-19/h7-12,20,26H,6,13-15H2,1-5H3