[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] (E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] (E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] (E)-3-(3-fluoro-4-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-fluoro-4-methoxyphenyl)-2-propenoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] (E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-fluoro-4-methoxy-phenyl)acrylic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C21H22FNO4 MolecularWeight: 371.402083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NCCCC2=CC=CC=C2)F

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NCCCC2=CC=CC=C2)F

InChI

InChI=1S/C21H22FNO4/c1-26-19-11-9-17(14-18(19)22)10-12-21(25)27-15-20(24)23-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13,15H2,1H3,(H,23,24)/b12-10+