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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4/c1-11-15(8-9-17(24)26-3)12(2)22(21-11)14-6-4-13(5-7-14)18(25)20-10-16(19)23/h4-7H,8-10H2,1-3H3,(H2,19,23)(H,20,25)