2-methoxy-3-[4-[3-(1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)propyl]phenyl]propanoic acid

Systemtic Name: 2-methoxy-3-[4-[3-(1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)propyl]phenyl]propanoic acid Openeye Name: 2-methoxy-3-[4-[3-(1-oxo-3,4-dihydroisoquinolin-2-yl)propyl]phenyl]propanoic acid CAS Name: 2-methoxy-3-[4-[3-(1-oxo-3,4-dihydroisoquinolin-2-yl)propyl]phenyl]propanoic acid IUPAC Name: 2-methoxy-3-[4-[3-(1-oxo-3,4-dihydroisoquinolin-2-yl)propyl]phenyl]propanoic acid Traditional Name: 3-[4-[3-(1-keto-3,4-dihydroisoquinolin-2-yl)propyl]phenyl]-2-methoxy-propionic acid Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=CC=C(C=C1)CCCN2CCC3=CC=CC=C3C2=O)C(=O)O

Isomeric SMILES

COC(CC1=CC=C(C=C1)CCCN2CCC3=CC=CC=C3C2=O)C(=O)O

InChI

InChI=1S/C22H25NO4/c1-27-20(22(25)26)15-17-10-8-16(9-11-17)5-4-13-23-14-12-18-6-2-3-7-19(18)21(23)24/h2-3,6-11,20H,4-5,12-15H2,1H3,(H,25,26)