3-[(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methyl]benzoic acid

Systemtic Name: 3-[(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methyl]benzoic acid Openeye Name: 3-[(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methyl]benzoic acid CAS Name: 3-[(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methyl]benzoic acid IUPAC Name: 3-[(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methyl]benzoic acid Traditional Name: 3-[(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methyl]benzoic acid Formula: C18H19NO3 MolecularWeight: 297.34836

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=CC=CC=C2O1)CC3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1(CN(C2=CC=CC=C2O1)CC3=CC=CC(=C3)C(=O)O)C

InChI

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