2-(3,4-dimethoxyphenyl)-4-[[(2S)-2-ethylhexyl]iminomethyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-(3,4-dimethoxyphenyl)-4-[[(2S)-2-ethylhexyl]iminomethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-(3,4-dimethoxyphenyl)-4-[[(2S)-2-ethylhexyl]iminomethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-(3,4-dimethoxyphenyl)-4-[[(2S)-2-ethylhexyl]iminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-[[(2S)-2-ethylhexyl]iminomethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-(3,4-dimethoxyphenyl)-4-[[(2S)-2-ethylhexyl]iminomethyl]-4H-isoquinoline-1,3-quinone Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCC[C@H](CC)CN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H32N2O4/c1-5-7-10-18(6-2)16-27-17-22-20-11-8-9-12-21(20)25(29)28(26(22)30)19-13-14-23(31-3)24(15-19)32-4/h8-9,11-15,17-18,22H,5-7,10,16H2,1-4H3/t18-,22?/m0/s1