7-methoxy-6-oxidanyl-1-(phenylmethyl)-3,4-dihydro-2H-isoquinoline-1-carboxylic acid

Systemtic Name: 7-methoxy-6-oxidanyl-1-(phenylmethyl)-3,4-dihydro-2H-isoquinoline-1-carboxylic acid Openeye Name: 1-benzyl-6-hydroxy-7-methoxy-3,4-dihydro-2H-isoquinoline-1-carboxylic acid CAS Name: 6-hydroxy-7-methoxy-1-(phenylmethyl)-3,4-dihydro-2H-isoquinoline-1-carboxylic acid IUPAC Name: 1-benzyl-6-hydroxy-7-methoxy-3,4-dihydro-2H-isoquinoline-1-carboxylic acid Traditional Name: 1-benzyl-6-hydroxy-7-methoxy-3,4-dihydro-2H-isoquinoline-1-carboxylic acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCNC(C2=C1)(CC3=CC=CC=C3)C(=O)O)O

Isomeric SMILES

COC1=C(C=C2CCNC(C2=C1)(CC3=CC=CC=C3)C(=O)O)O

InChI

InChI=1S/C18H19NO4/c1-23-16-10-14-13(9-15(16)20)7-8-19-18(14,17(21)22)11-12-5-3-2-4-6-12/h2-6,9-10,19-20H,7-8,11H2,1H3,(H,21,22)