1,3-dioctoxypropan-2-yl 4-chloranyl-3-[[3-(4-methoxyphenyl)-3-oxidanylidene-propanoyl]amino]benzoate

Systemtic Name: 1,3-dioctoxypropan-2-yl 4-chloranyl-3-[[3-(4-methoxyphenyl)-3-oxidanylidene-propanoyl]amino]benzoate Openeye Name: [2-octoxy-1-(octoxymethyl)ethyl] 4-chloro-3-[[3-(4-methoxyphenyl)-3-oxo-propanoyl]amino]benzoate CAS Name: 4-chloro-3-[[3-(4-methoxyphenyl)-1,3-dioxopropyl]amino]benzoic acid 1,3-dioctoxypropan-2-yl ester IUPAC Name: 1,3-dioctoxypropan-2-yl 4-chloro-3-[[3-(4-methoxyphenyl)-3-oxopropanoyl]amino]benzoate Traditional Name: 4-chloro-3-[[3-keto-3-(4-methoxyphenyl)propanoyl]amino]benzoic acid [2-octoxy-1-(octoxymethyl)ethyl] ester Formula: C36H52ClNO7 MolecularWeight: 646.25358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCC(COCCCCCCCC)OC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCCCOCC(COCCCCCCCC)OC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C36H52ClNO7/c1-4-6-8-10-12-14-22-43-26-31(27-44-23-15-13-11-9-7-5-2)45-36(41)29-18-21-32(37)33(24-29)38-35(40)25-34(39)28-16-19-30(42-3)20-17-28/h16-21,24,31H,4-15,22-23,25-27H2,1-3H3,(H,38,40)