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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]propyl 4-methoxybenzoate Openeye Name: 3-[1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinolin-2-yl]propyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid 3-[1,3-dioxo-6-(1-piperidinyl)-2-benzo[de]isoquinolinyl]propyl ester IUPAC Name: 3-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)propyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid 3-(1,3-diketo-6-piperidino-benzo[de]isoquinolin-2-yl)propyl ester Formula: C28H28N2O5 MolecularWeight: 472.53232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCCCN2C(=O)C3=C4C(=C(C=C3)N5CCCCC5)C=CC=C4C2=O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCCCN2C(=O)C3=C4C(=C(C=C3)N5CCCCC5)C=CC=C4C2=O

InChI

InChI=1S/C28H28N2O5/c1-34-20-11-9-19(10-12-20)28(33)35-18-6-17-30-26(31)22-8-5-7-21-24(29-15-3-2-4-16-29)14-13-23(25(21)22)27(30)32/h5,7-14H,2-4,6,15-18H2,1H3