4-azanyl-2-(3-propan-2-yloxyhexadecyl)benzoic acid

Systemtic Name: 4-azanyl-2-(3-propan-2-yloxyhexadecyl)benzoic acid Openeye Name: 4-amino-2-(3-isopropoxyhexadecyl)benzoic acid CAS Name: 4-amino-2-(3-propan-2-yloxyhexadecyl)benzoic acid IUPAC Name: 4-amino-2-(3-propan-2-yloxyhexadecyl)benzoic acid Traditional Name: 4-amino-2-(3-isopropoxyhexadecyl)benzoic acid Formula: C26H45NO3 MolecularWeight: 419.6404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCC1=C(C=CC(=C1)N)C(=O)O)OC(C)C

Isomeric SMILES

CCCCCCCCCCCCCC(CCC1=C(C=CC(=C1)N)C(=O)O)OC(C)C

InChI

InChI=1S/C26H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-24(30-21(2)3)18-16-22-20-23(27)17-19-25(22)26(28)29/h17,19-21,24H,4-16,18,27H2,1-3H3,(H,28,29)