2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid; [4-(dimethylamino)-3-methyl-1,2-diphenyl-butan-2-yl] propanoate

Systemtic Name: 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid; [4-(dimethylamino)-3-methyl-1,2-diphenyl-butan-2-yl] propanoate Openeye Name: [1-benzyl-3-(dimethylamino)-2-methyl-1-phenyl-propyl] propanoate; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid CAS Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid; propanoic acid [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] ester IUPAC Name: [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid Traditional Name: orotic acid; propionic acid [1-benzyl-3-(dimethylamino)-2-methyl-1-phenyl-propyl] ester Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.C1=C(NC(=O)NC1=O)C(=O)O

Isomeric SMILES

CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.C1=C(NC(=O)NC1=O)C(=O)O

InChI

InChI=1S/C22H29NO2.C5H4N2O4/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;8-3-1-2(4(9)10)6-5(11)7-3/h6-15,18H,5,16-17H2,1-4H3;1H,(H,9,10)(H2,6,7,8,11)