[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] (E)-3-(3-ethoxy-4-isobutoxy-phenyl)prop-2-enoate CAS Name: (E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]-2-propenoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] (E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-(3-ethoxy-4-isobutoxy-phenyl)acrylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C22H33NO5 MolecularWeight: 391.50112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)OCC(=O)NCCC(C)C)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NCCC(C)C)OCC(C)C

InChI

InChI=1S/C22H33NO5/c1-6-26-20-13-18(7-9-19(20)27-14-17(4)5)8-10-22(25)28-15-21(24)23-12-11-16(2)3/h7-10,13,16-17H,6,11-12,14-15H2,1-5H3,(H,23,24)/b10-8+