[2-[methyl(1-phenylethyl)amino]-2-oxidanylidene-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [2-[methyl(1-phenylethyl)amino]-2-oxidanylidene-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-[methyl(1-phenylethyl)amino]-2-oxo-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-keto-2-[methyl(1-phenylethyl)amino]ethyl] ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C)C(=O)COC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=CC=C1)N(C)C(=O)COC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O3/c1-18(20-9-5-3-6-10-20)25(2)22(27)17-29-23(28)14-13-19-15-24-26(16-19)21-11-7-4-8-12-21/h3-12,15-16,18H,13-14,17H2,1-2H3