ethyl 5-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[(E)-3-(4-benzyloxyphenyl)prop-2-enoyl]amino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(E)-1-oxo-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[[(E)-3-(4-benzoxyphenyl)acryloyl]amino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C31H26N4O4 MolecularWeight: 518.56254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)C=CC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)/C=C/C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H26N4O4/c1-2-38-31(37)26-20-32-35(28-18-15-24-10-6-7-11-27(24)33-28)30(26)34-29(36)19-14-22-12-16-25(17-13-22)39-21-23-8-4-3-5-9-23/h3-20H,2,21H2,1H3,(H,34,36)/b19-14+