2-[[4-butoxy-2-(cyclopropylmethyl)-1-oxidanylidene-6-phenylmethoxy-isoquinolin-3-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-butoxy-2-(cyclopropylmethyl)-1-oxidanylidene-6-phenylmethoxy-isoquinolin-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[6-benzyloxy-4-butoxy-2-(cyclopropylmethyl)-1-oxo-3-isoquinolyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-butoxy-2-(cyclopropylmethyl)-1-oxo-6-phenylmethoxy-3-isoquinolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-butoxy-2-(cyclopropylmethyl)-1-oxo-6-phenylmethoxyisoquinolin-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[6-benzoxy-4-butoxy-2-(cyclopropylmethyl)-1-keto-3-isoquinolyl]methyl]isoindoline-1,3-quinone Formula: C33H32N2O5 MolecularWeight: 536.61758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC4CC4)CN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC4CC4)CN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C33H32N2O5/c1-2-3-17-39-30-28-18-24(40-21-23-9-5-4-6-10-23)15-16-27(28)31(36)34(19-22-13-14-22)29(30)20-35-32(37)25-11-7-8-12-26(25)33(35)38/h4-12,15-16,18,22H,2-3,13-14,17,19-21H2,1H3