[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate

Systemtic Name: [2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate Openeye Name: [2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)propanoic acid [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propionic acid [2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl] ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)OCC(=O)NCC(=O)N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)OCC(=O)NCC(=O)N

InChI

InChI=1S/C18H22N4O4/c1-12-15(13(2)22(21-12)14-6-4-3-5-7-14)8-9-18(25)26-11-17(24)20-10-16(19)23/h3-7H,8-11H2,1-2H3,(H2,19,23)(H,20,24)