propan-2-yl 2-ethoxy-3-[4-[3-(1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)propyl]phenyl]propanoate

Systemtic Name: propan-2-yl 2-ethoxy-3-[4-[3-(1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)propyl]phenyl]propanoate Openeye Name: isopropyl 2-ethoxy-3-[4-[3-(1-oxo-3,4-dihydroisoquinolin-2-yl)propyl]phenyl]propanoate CAS Name: 2-ethoxy-3-[4-[3-(1-oxo-3,4-dihydroisoquinolin-2-yl)propyl]phenyl]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-ethoxy-3-[4-[3-(1-oxo-3,4-dihydroisoquinolin-2-yl)propyl]phenyl]propanoate Traditional Name: 2-ethoxy-3-[4-[3-(1-keto-3,4-dihydroisoquinolin-2-yl)propyl]phenyl]propionic acid isopropyl ester Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)CCCN2CCC3=CC=CC=C3C2=O)C(=O)OC(C)C

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)CCCN2CCC3=CC=CC=C3C2=O)C(=O)OC(C)C

InChI

InChI=1S/C26H33NO4/c1-4-30-24(26(29)31-19(2)3)18-21-13-11-20(12-14-21)8-7-16-27-17-15-22-9-5-6-10-23(22)25(27)28/h5-6,9-14,19,24H,4,7-8,15-18H2,1-3H3