hexadecyl 3-acetamido-4-chloranyl-4-[3-(2-methylphenyl)-3-oxidanylidene-propanoyl]cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: hexadecyl 3-acetamido-4-chloranyl-4-[3-(2-methylphenyl)-3-oxidanylidene-propanoyl]cyclohexa-1,5-diene-1-carboxylate Openeye Name: hexadecyl 3-acetamido-4-chloro-4-[3-(o-tolyl)-3-oxo-propanoyl]cyclohexa-1,5-diene-1-carboxylate CAS Name: 3-acetamido-4-chloro-4-[3-(2-methylphenyl)-1,3-dioxopropyl]-1-cyclohexa-1,5-dienecarboxylic acid hexadecyl ester IUPAC Name: hexadecyl 3-acetamido-4-chloro-4-[3-(2-methylphenyl)-3-oxopropanoyl]cyclohexa-1,5-diene-1-carboxylate Traditional Name: 3-acetamido-4-chloro-4-[3-keto-3-(o-tolyl)propanoyl]cyclohexa-1,5-diene-1-carboxylic acid cetyl ester Formula: C35H50ClNO5 MolecularWeight: 600.2282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(C(C=C1)(C(=O)CC(=O)C2=CC=CC=C2C)Cl)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(C(C=C1)(C(=O)CC(=O)C2=CC=CC=C2C)Cl)NC(=O)C

InChI

InChI=1S/C35H50ClNO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-42-34(41)29-22-23-35(36,32(25-29)37-28(3)38)33(40)26-31(39)30-21-18-17-20-27(30)2/h17-18,20-23,25,32H,4-16,19,24,26H2,1-3H3,(H,37,38)