[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]phenyl]methyl 2-azanylpropanoate

Systemtic Name: [4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]phenyl]methyl 2-azanylpropanoate Openeye Name: [4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxo-ethyl]phenyl]methyl 2-aminopropanoate CAS Name: 2-aminopropanoic acid [4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]methyl ester IUPAC Name: [4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]methyl 2-aminopropanoate Traditional Name: 2-aminopropionic acid [4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-keto-ethyl]benzyl] ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=C(C=C1)CC(=O)NC2=NNC(=C2)C3CC3)N

Isomeric SMILES

CC(C(=O)OCC1=CC=C(C=C1)CC(=O)NC2=NNC(=C2)C3CC3)N

InChI

InChI=1S/C18H22N4O3/c1-11(19)18(24)25-10-13-4-2-12(3-5-13)8-17(23)20-16-9-15(21-22-16)14-6-7-14/h2-5,9,11,14H,6-8,10,19H2,1H3,(H2,20,21,22,23)