(3-chloranyl-1-dodecoxy-1-oxidanylidene-butan-2-yl) 3-oxidanylidene-3-phenyl-2-(phenylcarbamoyl)propanoate

Systemtic Name: (3-chloranyl-1-dodecoxy-1-oxidanylidene-butan-2-yl) 3-oxidanylidene-3-phenyl-2-(phenylcarbamoyl)propanoate Openeye Name: (2-chloro-1-dodecoxycarbonyl-propyl) 3-anilino-2-benzoyl-3-oxo-propanoate CAS Name: 2-[anilino(oxo)methyl]-3-oxo-3-phenylpropanoic acid (3-chloro-1-dodecoxy-1-oxobutan-2-yl) ester IUPAC Name: (3-chloro-1-dodecoxy-1-oxobutan-2-yl) 3-anilino-2-benzoyl-3-oxopropanoate Traditional Name: 3-anilino-2-benzoyl-3-keto-propionic acid (2-chloro-1-lauryloxycarbonyl-propyl) ester Formula: C32H42ClNO6 MolecularWeight: 572.13198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(C(C)Cl)OC(=O)C(C(=O)C1=CC=CC=C1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C(C(C)Cl)OC(=O)C(C(=O)C1=CC=CC=C1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C32H42ClNO6/c1-3-4-5-6-7-8-9-10-11-18-23-39-32(38)29(24(2)33)40-31(37)27(28(35)25-19-14-12-15-20-25)30(36)34-26-21-16-13-17-22-26/h12-17,19-22,24,27,29H,3-11,18,23H2,1-2H3,(H,34,36)