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

Systemtic Name: ethyl (3S)-2-[(4-ethylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: ethyl (3S)-2-[(4-ethylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[(4-ethylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S)-2-[(4-ethylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-(4-ethylbenzyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CC3=CC=CC=C3CC2C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CC3=CC=CC=C3C[C@H]2C(=O)OCC

InChI

InChI=1S/C21H25NO2/c1-3-16-9-11-17(12-10-16)14-22-15-19-8-6-5-7-18(19)13-20(22)21(23)24-4-2/h5-12,20H,3-4,13-15H2,1-2H3/t20-/m0/s1