2-diethylaminoethyl 3-[1,3-bis(oxidanylidene)-4,5,6,7-tetrahydroisoindol-2-yl]benzoate

Systemtic Name: 2-diethylaminoethyl 3-[1,3-bis(oxidanylidene)-4,5,6,7-tetrahydroisoindol-2-yl]benzoate Openeye Name: 2-diethylaminoethyl 3-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)benzoate CAS Name: 3-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 3-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)benzoate Traditional Name: 3-(1,3-diketo-4,5,6,7-tetrahydroisoindol-2-yl)benzoic acid 2-diethylaminoethyl ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)CCCC3

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)CCCC3

InChI

InChI=1S/C21H26N2O4/c1-3-22(4-2)12-13-27-21(26)15-8-7-9-16(14-15)23-19(24)17-10-5-6-11-18(17)20(23)25/h7-9,14H,3-6,10-13H2,1-2H3