5-[(4-methoxy-3-methyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 5-[(4-methoxy-3-methyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 5-[(4-methoxy-3-methyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 5-[(4-methoxy-3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 5-[(4-methoxy-3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 5-(4-methoxy-3-methyl-benzyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C19H21NO3 MolecularWeight: 311.37494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC2=CC=CC3=C2CC(NC3)C(=O)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CC2=CC=CC3=C2CC(NC3)C(=O)O)OC

InChI

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