ethyl 4-[[2-[(4-ethoxycarbonylphenyl)carbamoyl]-3-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-[(4-ethoxycarbonylphenyl)carbamoyl]-3-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[2-[(4-ethoxycarbonylphenyl)carbamoyl]-3-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]prop-2-enoyl]amino]benzoate CAS Name: 4-[[2-[(4-ethoxycarbonylanilino)-oxomethyl]-1-oxo-3-(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)prop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-ethoxycarbonylphenyl)carbamoyl]-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[2-[(4-carbethoxyphenyl)carbamoyl]-3-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]acryloyl]amino]benzoic acid ethyl ester Formula: C36H31N5O6 MolecularWeight: 629.66124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CN(N=C2C3=CC=NC=C3)C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CN(N=C2C3=CC=NC=C3)C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)C(=O)OCC

InChI

InChI=1S/C36H31N5O6/c1-3-46-35(44)25-10-14-28(15-11-25)38-33(42)31(34(43)39-29-16-12-26(13-17-29)36(45)47-4-2)22-27-23-41(30-8-6-5-7-9-30)40-32(27)24-18-20-37-21-19-24/h5-23H,3-4H2,1-2H3,(H,38,42)(H,39,43)