2-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]ethyl 3,5-dimethoxybenzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]ethyl 3,5-dimethoxybenzoate Openeye Name: 2-[1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinolin-2-yl]ethyl 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid 2-[1,3-dioxo-6-(1-piperidinyl)-2-benzo[de]isoquinolinyl]ethyl ester IUPAC Name: 2-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)ethyl 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid 2-(1,3-diketo-6-piperidino-benzo[de]isoquinolin-2-yl)ethyl ester Formula: C28H28N2O6 MolecularWeight: 488.53172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OCCN2C(=O)C3=C4C(=C(C=C3)N5CCCCC5)C=CC=C4C2=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OCCN2C(=O)C3=C4C(=C(C=C3)N5CCCCC5)C=CC=C4C2=O)OC

InChI

InChI=1S/C28H28N2O6/c1-34-19-15-18(16-20(17-19)35-2)28(33)36-14-13-30-26(31)22-8-6-7-21-24(29-11-4-3-5-12-29)10-9-23(25(21)22)27(30)32/h6-10,15-17H,3-5,11-14H2,1-2H3