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

Systemtic Name: 2-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]ethyl 2-phenylethanoate Openeye Name: 2-[1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinolin-2-yl]ethyl 2-phenylacetate CAS Name: 2-phenylacetic 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 2-phenylacetate Traditional Name: 2-phenylacetic acid 2-(1,3-diketo-6-piperidino-benzo[de]isoquinolin-2-yl)ethyl ester Formula: C27H26N2O4 MolecularWeight: 442.50634

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCOC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N2O4/c30-24(18-19-8-3-1-4-9-19)33-17-16-29-26(31)21-11-7-10-20-23(28-14-5-2-6-15-28)13-12-22(25(20)21)27(29)32/h1,3-4,7-13H,2,5-6,14-18H2