[2-(butylamino)-2-oxidanylidene-ethyl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-butoxy-3-ethoxyphenyl)-2-propenoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] (E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)acrylic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C21H31NO5 MolecularWeight: 377.47454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C=CC1=CC(=C(C=C1)OCCCC)OCC

Isomeric SMILES

CCCCNC(=O)COC(=O)/C=C/C1=CC(=C(C=C1)OCCCC)OCC

InChI

InChI=1S/C21H31NO5/c1-4-7-13-22-20(23)16-27-21(24)12-10-17-9-11-18(26-14-8-5-2)19(15-17)25-6-3/h9-12,15H,4-8,13-14,16H2,1-3H3,(H,22,23)/b12-10+