methyl 2-[2-[5-(4-chlorophenyl)pentanoylamino]-2-cyclohexyl-ethanoyl]-7-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-[2-[5-(4-chlorophenyl)pentanoylamino]-2-cyclohexyl-ethanoyl]-7-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-[2-[5-(4-chlorophenyl)pentanoylamino]-2-cyclohexyl-acetyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[2-[[5-(4-chlorophenyl)-1-oxopentyl]amino]-2-cyclohexyl-1-oxoethyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[5-(4-chlorophenyl)pentanoylamino]-2-cyclohexylacetyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[2-[5-(4-chlorophenyl)pentanoylamino]-2-cyclohexyl-acetyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C30H37ClN2O5 MolecularWeight: 541.07818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(CN1C(=O)C(C3CCCCC3)NC(=O)CCCCC4=CC=C(C=C4)Cl)C=C(C=C2)O

Isomeric SMILES

COC(=O)C1CC2=C(CN1C(=O)C(C3CCCCC3)NC(=O)CCCCC4=CC=C(C=C4)Cl)C=C(C=C2)O

InChI

InChI=1S/C30H37ClN2O5/c1-38-30(37)26-18-22-13-16-25(34)17-23(22)19-33(26)29(36)28(21-8-3-2-4-9-21)32-27(35)10-6-5-7-20-11-14-24(31)15-12-20/h11-17,21,26,28,34H,2-10,18-19H2,1H3,(H,32,35)