3,5-bis(oxidanyl)-7-(1-phenyl-3-propan-2-yl-pyrrolo[2,1-a]isoquinolin-2-yl)heptanoic acid

Systemtic Name: 3,5-bis(oxidanyl)-7-(1-phenyl-3-propan-2-yl-pyrrolo[2,1-a]isoquinolin-2-yl)heptanoic acid Openeye Name: 3,5-dihydroxy-7-(3-isopropyl-1-phenyl-pyrrolo[2,1-a]isoquinolin-2-yl)heptanoic acid CAS Name: 3,5-dihydroxy-7-(1-phenyl-3-propan-2-yl-2-pyrrolo[2,1-a]isoquinolinyl)heptanoic acid IUPAC Name: 3,5-dihydroxy-7-(1-phenyl-3-propan-2-ylpyrrolo[2,1-a]isoquinolin-2-yl)heptanoic acid Traditional Name: 3,5-dihydroxy-7-(3-isopropyl-1-phenyl-pyrrol[2,1-a]isoquinolin-2-yl)enanthic acid Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C2N1C=CC3=CC=CC=C32)C4=CC=CC=C4)CCC(CC(CC(=O)O)O)O

Isomeric SMILES

CC(C)C1=C(C(=C2N1C=CC3=CC=CC=C32)C4=CC=CC=C4)CCC(CC(CC(=O)O)O)O

InChI

InChI=1S/C28H31NO4/c1-18(2)27-24(13-12-21(30)16-22(31)17-25(32)33)26(20-9-4-3-5-10-20)28-23-11-7-6-8-19(23)14-15-29(27)28/h3-11,14-15,18,21-22,30-31H,12-13,16-17H2,1-2H3,(H,32,33)