(E)-4-[ethyl(phenyl)amino]-2-(quinazolin-6-ylcarbamoyl)but-3-enoic acid

Systemtic Name: (E)-4-[ethyl(phenyl)amino]-2-(quinazolin-6-ylcarbamoyl)but-3-enoic acid Openeye Name: (E)-4-(N-ethylanilino)-2-(quinazolin-6-ylcarbamoyl)but-3-enoic acid CAS Name: (E)-4-(N-ethylanilino)-2-[oxo-(6-quinazolinylamino)methyl]-3-butenoic acid IUPAC Name: (E)-4-(N-ethylanilino)-2-(quinazolin-6-ylcarbamoyl)but-3-enoic acid Traditional Name: (E)-4-(N-ethylanilino)-2-(quinazolin-6-ylcarbamoyl)but-3-enoic acid Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C=CC(C(=O)NC1=CC2=CN=CN=C2C=C1)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCN(/C=C/C(C(=O)NC1=CC2=CN=CN=C2C=C1)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O3/c1-2-25(17-6-4-3-5-7-17)11-10-18(21(27)28)20(26)24-16-8-9-19-15(12-16)13-22-14-23-19/h3-14,18H,2H2,1H3,(H,24,26)(H,27,28)/b11-10+