3-[1,8-bis(oxidanyl)octan-4-ylamino]-2-propyl-benzoic acid

Systemtic Name: 3-[1,8-bis(oxidanyl)octan-4-ylamino]-2-propyl-benzoic acid Openeye Name: 3-[[5-hydroxy-1-(3-hydroxypropyl)pentyl]amino]-2-propyl-benzoic acid CAS Name: 3-(1,8-dihydroxyoctan-4-ylamino)-2-propylbenzoic acid IUPAC Name: 3-(1,8-dihydroxyoctan-4-ylamino)-2-propylbenzoic acid Traditional Name: 3-[[5-hydroxy-1-(3-hydroxypropyl)pentyl]amino]-2-propyl-benzoic acid Formula: C18H29NO4 MolecularWeight: 323.42716

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1NC(CCCCO)CCCO)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC=C1NC(CCCCO)CCCO)C(=O)O

InChI

InChI=1S/C18H29NO4/c1-2-7-15-16(18(22)23)10-5-11-17(15)19-14(9-6-13-21)8-3-4-12-20/h5,10-11,14,19-21H,2-4,6-9,12-13H2,1H3,(H,22,23)