(4R)-2-(4-ethoxyphenyl)-4-[3-(2-methylpropoxy)propyliminomethyl]-4H-isoquinoline-1,3-dione

Systemtic Name: (4R)-2-(4-ethoxyphenyl)-4-[3-(2-methylpropoxy)propyliminomethyl]-4H-isoquinoline-1,3-dione Openeye Name: (4R)-2-(4-ethoxyphenyl)-4-(3-isobutoxypropyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4R)-2-(4-ethoxyphenyl)-4-[3-(2-methylpropoxy)propyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4R)-2-(4-ethoxyphenyl)-4-[3-(2-methylpropoxy)propyliminomethyl]-4H-isoquinoline-1,3-dione Traditional Name: (4R)-4-(3-isobutoxypropyliminomethyl)-2-p-phenetyl-4H-isoquinoline-1,3-quinone Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O4/c1-4-31-20-12-10-19(11-13-20)27-24(28)22-9-6-5-8-21(22)23(25(27)29)16-26-14-7-15-30-17-18(2)3/h5-6,8-13,16,18,23H,4,7,14-15,17H2,1-3H3/t23-/m0/s1