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6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid

6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid

Systemtic Name:6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid
Openeye Name:6-benzyloxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid
CAS Name:6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid
IUPAC Name:6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid
Traditional Name:6-benzoxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid
Formula: C18H17NO5
MolecularWeight: 327.33128
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=C1C=C(C=C2)OCC3=CC=CC=C3)C(=O)O)C(=O)O


Isomeric SMILES

C1CN(C(C2=C1C=C(C=C2)OCC3=CC=CC=C3)C(=O)O)C(=O)O


InChI

InChI=1S/C18H17NO5/c20-17(21)16-15-7-6-14(24-11-12-4-2-1-3-5-12)10-13(15)8-9-19(16)18(22)23/h1-7,10,16H,8-9,11H2,(H,20,21)(H,22,23)


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