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

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)propionic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H26N2O5/c24-18-14-16-8-4-5-9-17(16)21(27)23(18)13-10-20(26)28-15-19(25)22-11-6-2-1-3-7-12-22/h4-5,8-9H,1-3,6-7,10-15H2