octyl 3-[[2-bromanyl-3-(4-octoxyphenyl)-3-oxidanylidene-propanoyl]amino]-4-chloranyl-benzoate

Systemtic Name: octyl 3-[[2-bromanyl-3-(4-octoxyphenyl)-3-oxidanylidene-propanoyl]amino]-4-chloranyl-benzoate Openeye Name: octyl 3-[[2-bromo-3-(4-octoxyphenyl)-3-oxo-propanoyl]amino]-4-chloro-benzoate CAS Name: 3-[[2-bromo-3-(4-octoxyphenyl)-1,3-dioxopropyl]amino]-4-chlorobenzoic acid octyl ester IUPAC Name: octyl 3-[[2-bromo-3-(4-octoxyphenyl)-3-oxopropanoyl]amino]-4-chlorobenzoate Traditional Name: 3-[[2-bromo-3-keto-3-(4-octoxyphenyl)propanoyl]amino]-4-chloro-benzoic acid octyl ester Formula: C32H43BrClNO5 MolecularWeight: 637.04452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)C(C(=O)NC2=C(C=CC(=C2)C(=O)OCCCCCCCC)Cl)Br

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)C(C(=O)NC2=C(C=CC(=C2)C(=O)OCCCCCCCC)Cl)Br

InChI

InChI=1S/C32H43BrClNO5/c1-3-5-7-9-11-13-21-39-26-18-15-24(16-19-26)30(36)29(33)31(37)35-28-23-25(17-20-27(28)34)32(38)40-22-14-12-10-8-6-4-2/h15-20,23,29H,3-14,21-22H2,1-2H3,(H,35,37)