ethyl (3R)-2-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: ethyl (3R)-2-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: ethyl (3R)-2-[(3-ethoxy-4-hydroxy-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R)-2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(3-ethoxy-4-hydroxy-benzyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CC3=CC=CC=C3CC2C(=O)OCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CC3=CC=CC=C3C[C@@H]2C(=O)OCC)O

InChI

InChI=1S/C21H25NO4/c1-3-25-20-11-15(9-10-19(20)23)13-22-14-17-8-6-5-7-16(17)12-18(22)21(24)26-4-2/h5-11,18,23H,3-4,12-14H2,1-2H3/t18-/m1/s1