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

Systemtic Name: hexyl 4-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: hexyl 4-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(4-butoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[(E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(4-butoxyphenyl)-2-cyano-acryloyl]amino]benzoic acid hexyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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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)OCCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O4/c1-3-5-7-8-18-33-27(31)22-11-13-24(14-12-22)29-26(30)23(20-28)19-21-9-15-25(16-10-21)32-17-6-4-2/h9-16,19H,3-8,17-18H2,1-2H3,(H,29,30)/b23-19+