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

Systemtic Name: dodecyl 3-acetamido-4-chloranyl-4-[3-(2-methylphenyl)-3-oxidanylidene-propanoyl]cyclohexa-1,5-diene-1-carboxylate Openeye Name: dodecyl 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 dodecyl ester IUPAC Name: dodecyl 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 lauryl ester Formula: C31H42ClNO5 MolecularWeight: 544.12188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42ClNO5/c1-4-5-6-7-8-9-10-11-12-15-20-38-30(37)25-18-19-31(32,28(21-25)33-24(3)34)29(36)22-27(35)26-17-14-13-16-23(26)2/h13-14,16-19,21,28H,4-12,15,20,22H2,1-3H3,(H,33,34)