2-oxidanylbenzoic acid; 1,3,3-trimethyl-4H-isoquinoline

Systemtic Name: 2-oxidanylbenzoic acid; 1,3,3-trimethyl-4H-isoquinoline Openeye Name: 2-hydroxybenzoic acid; 1,3,3-trimethyl-4H-isoquinoline CAS Name: 2-hydroxybenzoic acid; 1,3,3-trimethyl-4H-isoquinoline IUPAC Name: 2-hydroxybenzoic acid; 1,3,3-trimethyl-4H-isoquinoline Traditional Name: salicylic acid; 1,3,3-trimethyl-4H-isoquinoline Formula: C19H21NO3 MolecularWeight: 311.37494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(CC2=CC=CC=C12)(C)C.C1=CC=C(C(=C1)C(=O)O)O

Isomeric SMILES

CC1=NC(CC2=CC=CC=C12)(C)C.C1=CC=C(C(=C1)C(=O)O)O

InChI

InChI=1S/C12H15N.C7H6O3/c1-9-11-7-5-4-6-10(11)8-12(2,3)13-9;8-6-4-2-1-3-5(6)7(9)10/h4-7H,8H2,1-3H3;1-4,8H,(H,9,10)