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

Systemtic Name: 3-methylbutyl 4-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C28H37NO5 MolecularWeight: 467.59708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37NO5/c1-5-6-7-8-18-33-25-15-9-22(20-26(25)32-4)10-16-27(30)29-24-13-11-23(12-14-24)28(31)34-19-17-21(2)3/h9-16,20-21H,5-8,17-19H2,1-4H3,(H,29,30)/b16-10+