(4S)-4-[3-(cyclopropylmethoxy)propyliminomethyl]-2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-4-[3-(cyclopropylmethoxy)propyliminomethyl]-2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-[3-(cyclopropylmethoxy)propyliminomethyl]-2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-4-[3-(cyclopropylmethoxy)propyliminomethyl]-2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-4-[3-(cyclopropylmethoxy)propyliminomethyl]-2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-[3-(cyclopropylmethoxy)propyliminomethyl]-2-p-phenetyl-4H-isoquinoline-1,3-quinone Formula: C25H28N2O4 MolecularWeight: 420.50082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCCCOCC4CC4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NCCCOCC4CC4

InChI

InChI=1S/C25H28N2O4/c1-2-31-20-12-10-19(11-13-20)27-24(28)22-7-4-3-6-21(22)23(25(27)29)16-26-14-5-15-30-17-18-8-9-18/h3-4,6-7,10-13,16,18,23H,2,5,8-9,14-15,17H2,1H3/t23-/m1/s1