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

Systemtic Name: 2-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]ethyl 3-methylbenzoate Openeye Name: 2-[1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinolin-2-yl]ethyl 3-methylbenzoate CAS Name: 3-methylbenzoic 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-methylbenzoate Traditional Name: 3-methylbenzoic 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:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O4/c1-18-7-5-8-19(17-18)27(32)33-16-15-29-25(30)21-10-6-9-20-23(28-13-3-2-4-14-28)12-11-22(24(20)21)26(29)31/h5-12,17H,2-4,13-16H2,1H3