[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxidanylidene-ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxidanylidene-ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxo-ethyl] 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid [2-[methyl-[(1-phenyl-4-pyrazolyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid [2-keto-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethyl] ester Formula: C29H25N3O5 MolecularWeight: 495.5259

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)COC(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)COC(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5

InChI

InChI=1S/C29H25N3O5/c1-31(17-21-16-30-32(18-21)22-10-4-2-5-11-22)27(33)20-36-29(34)28-25(19-35-23-12-6-3-7-13-23)24-14-8-9-15-26(24)37-28/h2-16,18H,17,19-20H2,1H3