tert-butyl 2-azanyl-4-[3-[(3-ethanoylphenyl)carbamoylamino]propyl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 2-azanyl-4-[3-[(3-ethanoylphenyl)carbamoylamino]propyl]imidazole-1-carboxylate Openeye Name: tert-butyl 4-[3-[(3-acetylphenyl)carbamoylamino]propyl]-2-amino-imidazole-1-carboxylate CAS Name: 4-[3-[[(3-acetylanilino)-oxomethyl]amino]propyl]-2-amino-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(3-acetylphenyl)carbamoylamino]propyl]-2-aminoimidazole-1-carboxylate Traditional Name: 4-[3-[(3-acetylphenyl)carbamoylamino]propyl]-2-amino-imidazole-1-carboxylic acid tert-butyl ester Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)NCCCC2=CN(C(=N2)N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)NCCCC2=CN(C(=N2)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H27N5O4/c1-13(26)14-7-5-8-15(11-14)24-18(27)22-10-6-9-16-12-25(17(21)23-16)19(28)29-20(2,3)4/h5,7-8,11-12H,6,9-10H2,1-4H3,(H2,21,23)(H2,22,24,27)