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

Systemtic Name: 2,4-diethylheptyl 3-[[3-(4-butoxyphenyl)-2-chloranyl-3-oxidanylidene-propanoyl]amino]-4-chloranyl-benzoate Openeye Name: 2,4-diethylheptyl 3-[[3-(4-butoxyphenyl)-2-chloro-3-oxo-propanoyl]amino]-4-chloro-benzoate CAS Name: 3-[[3-(4-butoxyphenyl)-2-chloro-1,3-dioxopropyl]amino]-4-chlorobenzoic acid 2,4-diethylheptyl ester IUPAC Name: 2,4-diethylheptyl 3-[[3-(4-butoxyphenyl)-2-chloro-3-oxopropanoyl]amino]-4-chlorobenzoate Traditional Name: 3-[[3-(4-butoxyphenyl)-2-chloro-3-keto-propanoyl]amino]-4-chloro-benzoic acid 2,4-diethylheptyl ester Formula: C31H41Cl2NO5 MolecularWeight: 578.56694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H41Cl2NO5/c1-5-9-17-38-25-14-11-23(12-15-25)29(35)28(33)30(36)34-27-19-24(13-16-26(27)32)31(37)39-20-22(8-4)18-21(7-3)10-6-2/h11-16,19,21-22,28H,5-10,17-18,20H2,1-4H3,(H,34,36)