naphthalen-1-ylmethyl 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate

Systemtic Name: naphthalen-1-ylmethyl 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate Openeye Name: 1-naphthylmethyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)butanoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)butyric acid 1-naphthylmethyl ester Formula: C27H21NO4 MolecularWeight: 423.45994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2COC(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2COC(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C27H21NO4/c29-24(32-17-20-11-3-8-18-7-1-2-12-21(18)20)15-6-16-28-26(30)22-13-4-9-19-10-5-14-23(25(19)22)27(28)31/h1-5,7-14H,6,15-17H2