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

Systemtic Name: methyl 4-[[[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]amino]methyl]benzoic acid methyl ester Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NCC3=CC=C(C=C3)C(=O)OC)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NCC3=CC=C(C=C3)C(=O)OC)CC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4/c1-33-23-10-6-9-22(15-23)25-24(18-30(29-25)17-20-7-4-3-5-8-20)26(31)28-16-19-11-13-21(14-12-19)27(32)34-2/h3-15,18H,16-17H2,1-2H3,(H,28,31)