2,4-diethylheptyl 3-[[3-(4-butoxyphenyl)-3-oxidanylidene-propanoyl]amino]-4-chloranyl-benzoate

Systemtic Name: 2,4-diethylheptyl 3-[[3-(4-butoxyphenyl)-3-oxidanylidene-propanoyl]amino]-4-chloranyl-benzoate Openeye Name: 2,4-diethylheptyl 3-[[3-(4-butoxyphenyl)-3-oxo-propanoyl]amino]-4-chloro-benzoate CAS Name: 3-[[3-(4-butoxyphenyl)-1,3-dioxopropyl]amino]-4-chlorobenzoic acid 2,4-diethylheptyl ester IUPAC Name: 2,4-diethylheptyl 3-[[3-(4-butoxyphenyl)-3-oxopropanoyl]amino]-4-chlorobenzoate Traditional Name: 3-[[3-(4-butoxyphenyl)-3-keto-propanoyl]amino]-4-chloro-benzoic acid 2,4-diethylheptyl ester Formula: C31H42ClNO5 MolecularWeight: 544.12188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)CC(=O)NC2=C(C=CC(=C2)C(=O)OCC(CC)CC(CC)CCC)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)CC(=O)NC2=C(C=CC(=C2)C(=O)OCC(CC)CC(CC)CCC)Cl

InChI

InChI=1S/C31H42ClNO5/c1-5-9-17-37-26-14-11-24(12-15-26)29(34)20-30(35)33-28-19-25(13-16-27(28)32)31(36)38-21-23(8-4)18-22(7-3)10-6-2/h11-16,19,22-23H,5-10,17-18,20-21H2,1-4H3,(H,33,35)