ethyl 3-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamoylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 3-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamoylamino]-3-phenyl-propanoate Openeye Name: ethyl 3-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamoylamino]-3-phenyl-propanoate CAS Name: 3-[[[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methylamino]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-3-phenylpropanoate Traditional Name: 3-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamoylamino]-3-phenyl-propionic acid ethyl ester Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CNC(=O)NC(CC(=O)OCC)C2=CC=CC=C2)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CNC(=O)NC(CC(=O)OCC)C2=CC=CC=C2)C

InChI

InChI=1S/C20H28N4O3/c1-5-24-15(4)17(14(3)23-24)13-21-20(26)22-18(12-19(25)27-6-2)16-10-8-7-9-11-16/h7-11,18H,5-6,12-13H2,1-4H3,(H2,21,22,26)