methyl 2-[[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]amino]acetate CAS Name: 2-[[[3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]amino]acetate Traditional Name: 2-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]amino]acetic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NCC(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NCC(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-27-17-10-6-9-16(11-17)20-18(21(26)22-12-19(25)28-2)14-24(23-20)13-15-7-4-3-5-8-15/h3-11,14H,12-13H2,1-2H3,(H,22,26)