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

Systemtic Name: butyl 4-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl 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)OCCCC)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO5/c1-4-6-8-9-19-32-24-16-10-21(20-25(24)31-3)11-17-26(29)28-23-14-12-22(13-15-23)27(30)33-18-7-5-2/h10-17,20H,4-9,18-19H2,1-3H3,(H,28,29)/b17-11+