hexyl 4-[[(E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: hexyl 4-[[(E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]benzoate Openeye Name: hexyl 4-[[(E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-1-oxo-3-(4-propoxyphenyl)prop-2-enyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[(E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(4-propoxyphenyl)acryloyl]amino]benzoic acid hexyl ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)OCCC)C#N

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)OCCC)/C#N

InChI

InChI=1S/C26H30N2O4/c1-3-5-6-7-17-32-26(30)21-10-12-23(13-11-21)28-25(29)22(19-27)18-20-8-14-24(15-9-20)31-16-4-2/h8-15,18H,3-7,16-17H2,1-2H3,(H,28,29)/b22-18+