[2-(acetyloxymethyl)-4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methyl ethanoate

Systemtic Name: [2-(acetyloxymethyl)-4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methyl ethanoate Openeye Name: [2-(acetoxymethyl)-4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]methyl acetate CAS Name: acetic acid [2-(acetyloxymethyl)-4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]methyl ester IUPAC Name: [2-(acetyloxymethyl)-4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methyl acetate Traditional Name: acetic acid [2-(acetoxymethyl)-4-[1-(4-ethylpiperazino)-3-isoquinolyl]benzyl] ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=C(C=C4)COC(=O)C)COC(=O)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=C(C=C4)COC(=O)C)COC(=O)C

InChI

InChI=1S/C27H31N3O4/c1-4-29-11-13-30(14-12-29)27-25-8-6-5-7-21(25)16-26(28-27)22-9-10-23(17-33-19(2)31)24(15-22)18-34-20(3)32/h5-10,15-16H,4,11-14,17-18H2,1-3H3