hexyl 4-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: hexyl 4-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: hexyl 4-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(4-hexoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)acryloyl]amino]benzoic acid hexyl ester Formula: C29H39NO5 MolecularWeight: 481.62366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)C(=O)OCCCCCC)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)C(=O)OCCCCCC)OC

InChI

InChI=1S/C29H39NO5/c1-4-6-8-10-20-34-26-18-12-23(22-27(26)33-3)13-19-28(31)30-25-16-14-24(15-17-25)29(32)35-21-11-9-7-5-2/h12-19,22H,4-11,20-21H2,1-3H3,(H,30,31)/b19-13+