N-[5-[[2-(4-chlorophenyl)-2-oxidanyl-ethyl]amino]-5-propanoyl-cyclohexa-1,3-dien-1-yl]-3-methyl-but-2-enamide

Systemtic Name: N-[5-[[2-(4-chlorophenyl)-2-oxidanyl-ethyl]amino]-5-propanoyl-cyclohexa-1,3-dien-1-yl]-3-methyl-but-2-enamide Openeye Name: N-[5-[[2-(4-chlorophenyl)-2-hydroxy-ethyl]amino]-5-propanoyl-cyclohexa-1,3-dien-1-yl]-3-methyl-but-2-enamide CAS Name: N-[5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-5-(1-oxopropyl)-1-cyclohexa-1,3-dienyl]-3-methyl-2-butenamide IUPAC Name: N-[5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-5-propanoylcyclohexa-1,3-dien-1-yl]-3-methylbut-2-enamide Traditional Name: N-[5-[[2-(4-chlorophenyl)-2-hydroxy-ethyl]amino]-5-propionyl-cyclohexa-1,3-dien-1-yl]-3-methyl-but-2-enamide Formula: C22H27ClN2O3 MolecularWeight: 402.91438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(CC(=CC=C1)NC(=O)C=C(C)C)NCC(C2=CC=C(C=C2)Cl)O

Isomeric SMILES

CCC(=O)C1(CC(=CC=C1)NC(=O)C=C(C)C)NCC(C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C22H27ClN2O3/c1-4-20(27)22(24-14-19(26)16-7-9-17(23)10-8-16)11-5-6-18(13-22)25-21(28)12-15(2)3/h5-12,19,24,26H,4,13-14H2,1-3H3,(H,25,28)