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

Systemtic Name: 3-methylbutyl 4-[[(E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: isopentyl 4-[[(E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(3-methoxy-4-propoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(3-methoxy-4-propoxy-phenyl)acryloyl]amino]benzoic acid isoamyl ester Formula: C25H31NO5 MolecularWeight: 425.51734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)C(=O)OCCC(C)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)C(=O)OCCC(C)C)OC

InChI

InChI=1S/C25H31NO5/c1-5-15-30-22-12-6-19(17-23(22)29-4)7-13-24(27)26-21-10-8-20(9-11-21)25(28)31-16-14-18(2)3/h6-13,17-18H,5,14-16H2,1-4H3,(H,26,27)/b13-7+