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

Systemtic Name: 4-(heptylamino)-2-methyl-2-phenoxy-butanoic acid Openeye Name: 4-(heptylamino)-2-methyl-2-phenoxy-butanoic acid CAS Name: 4-(heptylamino)-2-methyl-2-phenoxybutanoic acid IUPAC Name: 4-(heptylamino)-2-methyl-2-phenoxybutanoic acid Traditional Name: 4-(heptylamino)-2-methyl-2-phenoxy-butyric acid Formula: C18H29NO3 MolecularWeight: 307.42776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO3/c1-3-4-5-6-10-14-19-15-13-18(2,17(20)21)22-16-11-8-7-9-12-16/h7-9,11-12,19H,3-6,10,13-15H2,1-2H3,(H,20,21)