(1R,3S)-1-ethenyl-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (1R,3S)-1-ethenyl-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (1R,3S)-2-benzyloxycarbonyl-1-vinyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (1R,3S)-1-ethenyl-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (1R,3S)-1-ethenyl-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (1R,3S)-2-carbobenzoxy-1-vinyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1C2=CC=CC=C2CC(N1C(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C=C[C@@H]1C2=CC=CC=C2C[C@H](N1C(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H19NO4/c1-2-17-16-11-7-6-10-15(16)12-18(19(22)23)21(17)20(24)25-13-14-8-4-3-5-9-14/h2-11,17-18H,1,12-13H2,(H,22,23)/t17-,18+/m1/s1