(4S)-2-(4-ethoxyphenyl)-4-[[(2R)-3-methylbutan-2-yl]iminomethyl]-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-2-(4-ethoxyphenyl)-4-[[(2R)-3-methylbutan-2-yl]iminomethyl]-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-[[(1R)-1,2-dimethylpropyl]iminomethyl]-2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(4-ethoxyphenyl)-4-[[(2R)-3-methylbutan-2-yl]iminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(4-ethoxyphenyl)-4-[[(2R)-3-methylbutan-2-yl]iminomethyl]-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-[[(1R)-1,2-dimethylpropyl]iminomethyl]-2-p-phenetyl-4H-isoquinoline-1,3-quinone Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NC(C)C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=N[C@H](C)C(C)C

InChI

InChI=1S/C23H26N2O3/c1-5-28-18-12-10-17(11-13-18)25-22(26)20-9-7-6-8-19(20)21(23(25)27)14-24-16(4)15(2)3/h6-16,21H,5H2,1-4H3/t16-,21-/m1/s1