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

Systemtic Name: 2-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]ethyl 3,5-dimethylbenzoate Openeye Name: 2-[1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinolin-2-yl]ethyl 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic 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-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid 2-(1,3-diketo-6-piperidino-benzo[de]isoquinolin-2-yl)ethyl ester Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCCN2C(=O)C3=C4C(=C(C=C3)N5CCCCC5)C=CC=C4C2=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCCN2C(=O)C3=C4C(=C(C=C3)N5CCCCC5)C=CC=C4C2=O)C

InChI

InChI=1S/C28H28N2O4/c1-18-15-19(2)17-20(16-18)28(33)34-14-13-30-26(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