[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl] 3-phenylbutanoate

Systemtic Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl] 3-phenylbutanoate Openeye Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxo-ethyl] 3-phenylbutanoate CAS Name: 3-phenylbutanoic acid [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl] 3-phenylbutanoate Traditional Name: 3-phenylbutyric acid [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-keto-ethyl] ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)NC(C)C1=CC2=C(C=C1)OCO2)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)OCC(=O)NC(C)C1=CC2=C(C=C1)OCO2)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO5/c1-14(16-6-4-3-5-7-16)10-21(24)25-12-20(23)22-15(2)17-8-9-18-19(11-17)27-13-26-18/h3-9,11,14-15H,10,12-13H2,1-2H3,(H,22,23)