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3-[[3-methyl-5-(oxolan-2-ylmethylamino)phenyl]amino]benzoic acid

3-[[3-methyl-5-(oxolan-2-ylmethylamino)phenyl]amino]benzoic acid

Systemtic Name:3-[[3-methyl-5-(oxolan-2-ylmethylamino)phenyl]amino]benzoic acid
Openeye Name:3-[3-methyl-5-(tetrahydrofuran-2-ylmethylamino)anilino]benzoic acid
CAS Name:3-[3-methyl-5-(2-oxolanylmethylamino)anilino]benzoic acid
IUPAC Name:3-[3-methyl-5-(oxolan-2-ylmethylamino)anilino]benzoic acid
Traditional Name:3-[3-methyl-5-(tetrahydrofurfurylamino)anilino]benzoic acid
Formula: C19H22N2O3
MolecularWeight: 326.38958
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NCC2CCCO2)NC3=CC=CC(=C3)C(=O)O


Isomeric SMILES

CC1=CC(=CC(=C1)NCC2CCCO2)NC3=CC=CC(=C3)C(=O)O


InChI

InChI=1S/C19H22N2O3/c1-13-8-16(20-12-18-6-3-7-24-18)11-17(9-13)21-15-5-2-4-14(10-15)19(22)23/h2,4-5,8-11,18,20-21H,3,6-7,12H2,1H3,(H,22,23)


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