methyl 2-[2-[3-(4-chlorophenyl)propanoylamino]-2-cyclohexyl-ethanoyl]-7-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-[2-[3-(4-chlorophenyl)propanoylamino]-2-cyclohexyl-ethanoyl]-7-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-[2-[3-(4-chlorophenyl)propanoylamino]-2-cyclohexyl-acetyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[2-[[3-(4-chlorophenyl)-1-oxopropyl]amino]-2-cyclohexyl-1-oxoethyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[3-(4-chlorophenyl)propanoylamino]-2-cyclohexylacetyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[2-[3-(4-chlorophenyl)propanoylamino]-2-cyclohexyl-acetyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C28H33ClN2O5 MolecularWeight: 513.02502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(CN1C(=O)C(C3CCCCC3)NC(=O)CCC4=CC=C(C=C4)Cl)C=C(C=C2)O

Isomeric SMILES

COC(=O)C1CC2=C(CN1C(=O)C(C3CCCCC3)NC(=O)CCC4=CC=C(C=C4)Cl)C=C(C=C2)O

InChI

InChI=1S/C28H33ClN2O5/c1-36-28(35)24-16-20-10-13-23(32)15-21(20)17-31(24)27(34)26(19-5-3-2-4-6-19)30-25(33)14-9-18-7-11-22(29)12-8-18/h7-8,10-13,15,19,24,26,32H,2-6,9,14,16-17H2,1H3,(H,30,33)