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

Systemtic Name: 2-methylpropyl 4-[[(E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]benzoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C26H33NO5 MolecularWeight: 439.54392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C)OC

InChI

InChI=1S/C26H33NO5/c1-18(2)14-15-31-23-12-6-20(16-24(23)30-5)7-13-25(28)27-22-10-8-21(9-11-22)26(29)32-17-19(3)4/h6-13,16,18-19H,14-15,17H2,1-5H3,(H,27,28)/b13-7+