[7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl ester IUPAC Name: [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid [7-(carbethoxyamino)-2-keto-chromen-4-yl]methyl ester Formula: C27H25N3O6 MolecularWeight: 487.5039

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C=CC3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)/C=C/C3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C27H25N3O6/c1-4-34-27(33)28-20-10-11-23-19(14-26(32)36-24(23)15-20)16-35-25(31)13-12-22-17(2)29-30(18(22)3)21-8-6-5-7-9-21/h5-15H,4,16H2,1-3H3,(H,28,33)/b13-12+