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

Systemtic Name: hexyl 4-[[(E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]benzoate Openeye Name: hexyl 4-[[(E)-3-(4-isopentyloxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[(E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(4-isoamoxy-3-methoxy-phenyl)acryloyl]amino]benzoic acid hexyl ester Formula: C28H37NO5 MolecularWeight: 467.59708

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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)C)OC

Isomeric SMILES

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

InChI

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