(3S)-3-ethyl-7-oxidanyl-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: (3S)-3-ethyl-7-oxidanyl-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: (3S)-2-benzyl-3-ethyl-7-hydroxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: (3S)-3-ethyl-7-hydroxy-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: (3S)-2-benzyl-3-ethyl-7-hydroxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: (3S)-2-benzyl-3-ethyl-7-hydroxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C19H21NO3 MolecularWeight: 311.37494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2=C(C=C(C=C2)O)C(N1CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC[C@H]1CC2=C(C=C(C=C2)O)C(N1CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H21NO3/c1-2-15-10-14-8-9-16(21)11-17(14)18(19(22)23)20(15)12-13-6-4-3-5-7-13/h3-9,11,15,18,21H,2,10,12H2,1H3,(H,22,23)/t15-,18?/m0/s1