4-(heptylamino)-2-methyl-2-phenoxy-hexanoic acid

Systemtic Name: 4-(heptylamino)-2-methyl-2-phenoxy-hexanoic acid Openeye Name: 4-(heptylamino)-2-methyl-2-phenoxy-hexanoic acid CAS Name: 4-(heptylamino)-2-methyl-2-phenoxyhexanoic acid IUPAC Name: 4-(heptylamino)-2-methyl-2-phenoxyhexanoic acid Traditional Name: 4-(heptylamino)-2-methyl-2-phenoxy-hexanoic acid Formula: C20H33NO3 MolecularWeight: 335.48092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(CC)CC(C)(C(=O)O)OC1=CC=CC=C1

Isomeric SMILES

CCCCCCCNC(CC)CC(C)(C(=O)O)OC1=CC=CC=C1

InChI

InChI=1S/C20H33NO3/c1-4-6-7-8-12-15-21-17(5-2)16-20(3,19(22)23)24-18-13-10-9-11-14-18/h9-11,13-14,17,21H,4-8,12,15-16H2,1-3H3,(H,22,23)