(4S)-2-(4-ethoxyphenyl)-4-(3-methoxypropyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-2-(4-ethoxyphenyl)-4-(3-methoxypropyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(4-ethoxyphenyl)-4-(3-methoxypropyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(4-ethoxyphenyl)-4-(3-methoxypropyliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(4-ethoxyphenyl)-4-(3-methoxypropyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-(3-methoxypropyliminomethyl)-2-p-phenetyl-4H-isoquinoline-1,3-quinone Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-3-28-17-11-9-16(10-12-17)24-21(25)19-8-5-4-7-18(19)20(22(24)26)15-23-13-6-14-27-2/h4-5,7-12,15,20H,3,6,13-14H2,1-2H3/t20-/m1/s1