pentyl 4-[[(E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: pentyl 4-[[(E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: pentyl 4-[[(E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(4-butoxy-3-ethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[[(E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(4-butoxy-3-ethoxy-phenyl)acryloyl]amino]benzoic acid amyl ester Formula: C27H35NO5 MolecularWeight: 453.5705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC(=C(C=C2)OCCCC)OCC

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=C(C=C2)OCCCC)OCC

InChI

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