[1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [1-methyl-2-oxo-2-(1-phenylbutylamino)ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [1-oxo-1-(1-phenylbutylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylbutylamino)propan-2-yl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid [2-keto-1-methyl-2-(1-phenylbutylamino)ethyl] ester Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H25NO5/c1-3-7-19(18-8-5-4-6-9-18)24-23(26)16(2)29-22(25)13-11-17-10-12-20-21(14-17)28-15-27-20/h4-6,8-14,16,19H,3,7,15H2,1-2H3,(H,24,26)/b13-11+