2-diethylaminoethyl 4-[[3-(1,3-benzodioxol-5-yl)-3-oxidanylidene-propyl]amino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[[3-(1,3-benzodioxol-5-yl)-3-oxidanylidene-propyl]amino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[3-(1,3-benzodioxol-5-yl)-3-oxo-propyl]amino]benzoate CAS Name: 4-[[3-(1,3-benzodioxol-5-yl)-3-oxopropyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[3-(1,3-benzodioxol-5-yl)-3-oxopropyl]amino]benzoate Traditional Name: 4-[[3-(1,3-benzodioxol-5-yl)-3-keto-propyl]amino]benzoic acid 2-diethylaminoethyl ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NCCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NCCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H28N2O5/c1-3-25(4-2)13-14-28-23(27)17-5-8-19(9-6-17)24-12-11-20(26)18-7-10-21-22(15-18)30-16-29-21/h5-10,15,24H,3-4,11-14,16H2,1-2H3