20-azanyl-4-(phenylmethyl)icosanoic acid

Systemtic Name: 20-azanyl-4-(phenylmethyl)icosanoic acid Openeye Name: 20-amino-4-benzyl-icosanoic acid CAS Name: 20-amino-4-(phenylmethyl)eicosanoic acid IUPAC Name: 20-amino-4-benzylicosanoic acid Traditional Name: 20-amino-4-benzyl-arachidic acid Formula: C27H47NO2 MolecularWeight: 417.66758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H47NO2/c28-23-17-12-10-8-6-4-2-1-3-5-7-9-11-14-20-26(21-22-27(29)30)24-25-18-15-13-16-19-25/h13,15-16,18-19,26H,1-12,14,17,20-24,28H2,(H,29,30)