3-methylbutyl 4-[[(E)-3-(3-methoxy-4-pentoxy-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: 3-methylbutyl 4-[[(E)-3-(3-methoxy-4-pentoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: isopentyl 4-[[(E)-3-(3-methoxy-4-pentoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(3-methoxy-4-pentoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[[(E)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(4-amoxy-3-methoxy-phenyl)acryloyl]amino]benzoic acid isoamyl ester Formula: C27H35NO5 MolecularWeight: 453.5705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)C(=O)OCCC(C)C)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)C(=O)OCCC(C)C)OC

InChI

InChI=1S/C27H35NO5/c1-5-6-7-17-32-24-14-8-21(19-25(24)31-4)9-15-26(29)28-23-12-10-22(11-13-23)27(30)33-18-16-20(2)3/h8-15,19-20H,5-7,16-18H2,1-4H3,(H,28,29)/b15-9+