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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NCC(C)C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NCC(C)C)OCC

InChI

InChI=1S/C21H31NO5/c1-5-7-12-26-18-10-8-17(13-19(18)25-6-2)9-11-21(24)27-15-20(23)22-14-16(3)4/h8-11,13,16H,5-7,12,14-15H2,1-4H3,(H,22,23)/b11-9+