ethyl (2S)-2-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-2-(furan-2-ylcarbonylamino)ethanoate

Systemtic Name: ethyl (2S)-2-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-2-(furan-2-ylcarbonylamino)ethanoate Openeye Name: ethyl (2S)-2-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-2-(furan-2-carbonylamino)acetate CAS Name: (2S)-2-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-2-[[2-furanyl(oxo)methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(furan-2-carbonylamino)acetate Traditional Name: (2S)-2-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-2-(2-furoylamino)acetic acid ethyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(N(N=C1C)CC2=CC=CC=C2)C)NC(=O)C3=CC=CO3

Isomeric SMILES

CCOC(=O)[C@H](C1=C(N(N=C1C)CC2=CC=CC=C2)C)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H23N3O4/c1-4-27-21(26)19(22-20(25)17-11-8-12-28-17)18-14(2)23-24(15(18)3)13-16-9-6-5-7-10-16/h5-12,19H,4,13H2,1-3H3,(H,22,25)/t19-/m0/s1