2-ethylhexyl (E)-2-cyano-3-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]amino]prop-2-enoate

Systemtic Name: 2-ethylhexyl (E)-2-cyano-3-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]amino]prop-2-enoate Openeye Name: 2-ethylhexyl (E)-2-cyano-3-[4-(5-methyl-1,3-benzoxazol-2-yl)anilino]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-(5-methyl-1,3-benzoxazol-2-yl)anilino]-2-propenoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl (E)-2-cyano-3-[4-(5-methyl-1,3-benzoxazol-2-yl)anilino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-(5-methyl-1,3-benzoxazol-2-yl)anilino]acrylic acid 2-ethylhexyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C(=CNC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C)C#N

Isomeric SMILES

CCCCC(CC)COC(=O)/C(=C/NC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C)/C#N

InChI

InChI=1S/C26H29N3O3/c1-4-6-7-19(5-2)17-31-26(30)21(15-27)16-28-22-11-9-20(10-12-22)25-29-23-14-18(3)8-13-24(23)32-25/h8-14,16,19,28H,4-7,17H2,1-3H3/b21-16+