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

Systemtic Name: ethyl (3S)-2-[[4-(diethylamino)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: ethyl (3S)-2-[[4-(diethylamino)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[[4-(diethylamino)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S)-2-[[4-(diethylamino)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[4-(diethylamino)benzyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester Formula: C23H30N2O2 MolecularWeight: 366.4965

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O2/c1-4-24(5-2)21-13-11-18(12-14-21)16-25-17-20-10-8-7-9-19(20)15-22(25)23(26)27-6-3/h7-14,22H,4-6,15-17H2,1-3H3/t22-/m0/s1