3-[6-morpholin-4-yl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propyl 4-tert-butylbenzoate

Systemtic Name: 3-[6-morpholin-4-yl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propyl 4-tert-butylbenzoate Openeye Name: 3-(6-morpholino-1,3-dioxo-benzo[de]isoquinolin-2-yl)propyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid 3-[6-(4-morpholinyl)-1,3-dioxo-2-benzo[de]isoquinolinyl]propyl ester IUPAC Name: 3-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid 3-(1,3-diketo-6-morpholino-benzo[de]isoquinolin-2-yl)propyl ester Formula: C30H32N2O5 MolecularWeight: 500.58548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCCCN2C(=O)C3=C4C(=C(C=C3)N5CCOCC5)C=CC=C4C2=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCCCN2C(=O)C3=C4C(=C(C=C3)N5CCOCC5)C=CC=C4C2=O

InChI

InChI=1S/C30H32N2O5/c1-30(2,3)21-10-8-20(9-11-21)29(35)37-17-5-14-32-27(33)23-7-4-6-22-25(31-15-18-36-19-16-31)13-12-24(26(22)23)28(32)34/h4,6-13H,5,14-19H2,1-3H3