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

Systemtic Name: 2-methylpropyl 4-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C27H35NO5 MolecularWeight: 453.5705

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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)OCC(C)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO5/c1-5-6-7-8-17-32-24-15-9-21(18-25(24)31-4)10-16-26(29)28-23-13-11-22(12-14-23)27(30)33-19-20(2)3/h9-16,18,20H,5-8,17,19H2,1-4H3,(H,28,29)/b16-10+