4-methyl-3-(5-methylheptan-3-ylamino)benzoic acid

Systemtic Name: 4-methyl-3-(5-methylheptan-3-ylamino)benzoic acid Openeye Name: 3-[(1-ethyl-3-methyl-pentyl)amino]-4-methyl-benzoic acid CAS Name: 4-methyl-3-(5-methylheptan-3-ylamino)benzoic acid IUPAC Name: 4-methyl-3-(5-methylheptan-3-ylamino)benzoic acid Traditional Name: 3-[(1-ethyl-3-methyl-pentyl)amino]-4-methyl-benzoic acid Formula: C16H25NO2 MolecularWeight: 263.3752

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)NC1=C(C=CC(=C1)C(=O)O)C

Isomeric SMILES

CCC(C)CC(CC)NC1=C(C=CC(=C1)C(=O)O)C

InChI

InChI=1S/C16H25NO2/c1-5-11(3)9-14(6-2)17-15-10-13(16(18)19)8-7-12(15)4/h7-8,10-11,14,17H,5-6,9H2,1-4H3,(H,18,19)