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

Systemtic Name: 5-(4-methoxy-3-methyl-phenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 5-(4-methoxy-3-methyl-phenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 5-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 5-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 5-(4-methoxy-3-methyl-phenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C18H19NO3 MolecularWeight: 297.34836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C3CC(NCC3=CC=C2)C(=O)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C3CC(NCC3=CC=C2)C(=O)O)OC

InChI

InChI=1S/C18H19NO3/c1-11-8-12(6-7-17(11)22-2)14-5-3-4-13-10-19-16(18(20)21)9-15(13)14/h3-8,16,19H,9-10H2,1-2H3,(H,20,21)