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

Systemtic Name: ethyl (3R)-2-[[4-(diethylamino)-2-oxidanyl-phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: ethyl (3R)-2-[[4-(diethylamino)-2-hydroxy-phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[[4-(diethylamino)-2-hydroxyphenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R)-2-[[4-(diethylamino)-2-hydroxyphenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[4-(diethylamino)-2-hydroxy-benzyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3/c1-4-24(5-2)20-12-11-19(22(26)14-20)16-25-15-18-10-8-7-9-17(18)13-21(25)23(27)28-6-3/h7-12,14,21,26H,4-6,13,15-16H2,1-3H3/t21-/m1/s1