[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate Traditional Name: 2-(1,3-diketo-4H-isoquinolin-2-yl)acetic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)CN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)CN2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H24N2O5/c23-17-12-15-8-4-5-9-16(15)20(26)22(17)13-19(25)27-14-18(24)21-10-6-2-1-3-7-11-21/h4-5,8-9H,1-3,6-7,10-14H2