[2-(4-butylphenyl)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Openeye Name: [2-(4-butylphenyl)-2-oxo-ethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-2-propenoic acid [2-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-2-oxoethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)acrylic acid [2-(4-butylphenyl)-2-keto-ethyl] ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C=CC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C22H21NO4/c1-2-3-6-16-9-11-17(12-10-16)19(24)15-26-22(25)14-13-21-23-18-7-4-5-8-20(18)27-21/h4-5,7-14H,2-3,6,15H2,1H3/b14-13+