1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-oxidanyl-3,4-dihydro-2H-isoquinoline-1-carboxylic acid

Systemtic Name: 1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-oxidanyl-3,4-dihydro-2H-isoquinoline-1-carboxylic acid Openeye Name: 7-hydroxy-1-[(4-hydroxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-isoquinoline-1-carboxylic acid CAS Name: 7-hydroxy-1-[(4-hydroxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-isoquinoline-1-carboxylic acid IUPAC Name: 7-hydroxy-1-[(4-hydroxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-isoquinoline-1-carboxylic acid Traditional Name: 7-hydroxy-1-(4-hydroxybenzyl)-6-methoxy-3,4-dihydro-2H-isoquinoline-1-carboxylic acid Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCNC2(CC3=CC=C(C=C3)O)C(=O)O)O

Isomeric SMILES

COC1=C(C=C2C(=C1)CCNC2(CC3=CC=C(C=C3)O)C(=O)O)O

InChI

InChI=1S/C18H19NO5/c1-24-16-8-12-6-7-19-18(17(22)23,14(12)9-15(16)21)10-11-2-4-13(20)5-3-11/h2-5,8-9,19-21H,6-7,10H2,1H3,(H,22,23)