4-[[4-ethanoyl-3-(hexylamino)phenoxy]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[4-ethanoyl-3-(hexylamino)phenoxy]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[4-acetyl-3-(hexylamino)phenoxy]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[4-acetyl-3-(hexylamino)phenoxy]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[4-acetyl-3-(hexylamino)phenoxy]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[4-acetyl-3-(hexylamino)phenoxy]methyl]-3-methoxy-benzoic acid Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=C(C=CC(=C1)OCC2=C(C=C(C=C2)C(=O)O)OC)C(=O)C

Isomeric SMILES

CCCCCCNC1=C(C=CC(=C1)OCC2=C(C=C(C=C2)C(=O)O)OC)C(=O)C

InChI

InChI=1S/C23H29NO5/c1-4-5-6-7-12-24-21-14-19(10-11-20(21)16(2)25)29-15-18-9-8-17(23(26)27)13-22(18)28-3/h8-11,13-14,24H,4-7,12,15H2,1-3H3,(H,26,27)