2-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]ethyl 4-chloranylbenzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]ethyl 4-chloranylbenzoate Openeye Name: 2-[1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinolin-2-yl]ethyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic 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 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 2-(1,3-diketo-6-piperidino-benzo[de]isoquinolin-2-yl)ethyl ester Formula: C26H23ClN2O4 MolecularWeight: 462.92482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCOC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCOC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H23ClN2O4/c27-18-9-7-17(8-10-18)26(32)33-16-15-29-24(30)20-6-4-5-19-22(28-13-2-1-3-14-28)12-11-21(23(19)20)25(29)31/h4-12H,1-3,13-16H2