phenanthridin-6-ylmethyl 3-[4,4-dimethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]propanoate

Systemtic Name: phenanthridin-6-ylmethyl 3-[4,4-dimethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]propanoate Openeye Name: phenanthridin-6-ylmethyl 3-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)propanoate CAS Name: 3-(4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)propanoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate Traditional Name: 3-(2,5-diketo-4,4-dimethyl-imidazolidin-1-yl)propionic acid phenanthridin-6-ylmethyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=O)N1)CCC(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)C

Isomeric SMILES

CC1(C(=O)N(C(=O)N1)CCC(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)C

InChI

InChI=1S/C22H21N3O4/c1-22(2)20(27)25(21(28)24-22)12-11-19(26)29-13-18-16-9-4-3-7-14(16)15-8-5-6-10-17(15)23-18/h3-10H,11-13H2,1-2H3,(H,24,28)