3-[5-[3-(4-phenylphenoxy)propoxy]-2-propoxycarbonyl-3,4-dihydro-1H-isoquinolin-8-yl]propanoic acid

Systemtic Name: 3-[5-[3-(4-phenylphenoxy)propoxy]-2-propoxycarbonyl-3,4-dihydro-1H-isoquinolin-8-yl]propanoic acid Openeye Name: 3-[5-[3-(4-phenylphenoxy)propoxy]-2-propoxycarbonyl-3,4-dihydro-1H-isoquinolin-8-yl]propanoic acid CAS Name: 3-[2-[oxo(propoxy)methyl]-5-[3-(4-phenylphenoxy)propoxy]-3,4-dihydro-1H-isoquinolin-8-yl]propanoic acid IUPAC Name: 3-[5-[3-(4-phenylphenoxy)propoxy]-2-propoxycarbonyl-3,4-dihydro-1H-isoquinolin-8-yl]propanoic acid Traditional Name: 3-[5-[3-(4-phenylphenoxy)propoxy]-2-propoxycarbonyl-3,4-dihydro-1H-isoquinolin-8-yl]propionic acid Formula: C31H35NO6 MolecularWeight: 517.6127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)N1CCC2=C(C=CC(=C2C1)CCC(=O)O)OCCCOC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCCOC(=O)N1CCC2=C(C=CC(=C2C1)CCC(=O)O)OCCCOC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H35NO6/c1-2-19-38-31(35)32-18-17-27-28(22-32)25(12-16-30(33)34)11-15-29(27)37-21-6-20-36-26-13-9-24(10-14-26)23-7-4-3-5-8-23/h3-5,7-11,13-15H,2,6,12,16-22H2,1H3,(H,33,34)