4-[[3-(4-hexadecoxyphenyl)-3-oxidanylidene-propanoyl]amino]phthalic acid

Systemtic Name: 4-[[3-(4-hexadecoxyphenyl)-3-oxidanylidene-propanoyl]amino]phthalic acid Openeye Name: 4-[[3-(4-hexadecoxyphenyl)-3-oxo-propanoyl]amino]phthalic acid CAS Name: 4-[[3-(4-hexadecoxyphenyl)-1,3-dioxopropyl]amino]phthalic acid IUPAC Name: 4-[[3-(4-hexadecoxyphenyl)-3-oxopropanoyl]amino]phthalic acid Traditional Name: 4-[[3-(4-cetyloxyphenyl)-3-keto-propanoyl]amino]phthalic acid Formula: C33H45NO7 MolecularWeight: 567.7129

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)CC(=O)NC2=CC(=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)CC(=O)NC2=CC(=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C33H45NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-41-27-19-16-25(17-20-27)30(35)24-31(36)34-26-18-21-28(32(37)38)29(23-26)33(39)40/h16-21,23H,2-15,22,24H2,1H3,(H,34,36)(H,37,38)(H,39,40)