dodecyl 3-[[2-bromanyl-3-(4-methoxyphenyl)-3-oxidanylidene-propanoyl]amino]-4-chloranyl-benzoate

Systemtic Name: dodecyl 3-[[2-bromanyl-3-(4-methoxyphenyl)-3-oxidanylidene-propanoyl]amino]-4-chloranyl-benzoate Openeye Name: dodecyl 3-[[2-bromo-3-(4-methoxyphenyl)-3-oxo-propanoyl]amino]-4-chloro-benzoate CAS Name: 3-[[2-bromo-3-(4-methoxyphenyl)-1,3-dioxopropyl]amino]-4-chlorobenzoic acid dodecyl ester IUPAC Name: dodecyl 3-[[2-bromo-3-(4-methoxyphenyl)-3-oxopropanoyl]amino]-4-chlorobenzoate Traditional Name: 3-[[2-bromo-3-keto-3-(4-methoxyphenyl)propanoyl]amino]-4-chloro-benzoic acid lauryl ester Formula: C29H37BrClNO5 MolecularWeight: 594.96478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C2=CC=C(C=C2)OC)Br

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C2=CC=C(C=C2)OC)Br

InChI

InChI=1S/C29H37BrClNO5/c1-3-4-5-6-7-8-9-10-11-12-19-37-29(35)22-15-18-24(31)25(20-22)32-28(34)26(30)27(33)21-13-16-23(36-2)17-14-21/h13-18,20,26H,3-12,19H2,1-2H3,(H,32,34)