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

Systemtic Name: methyl 2-[2-cyclohexyl-2-(7-oxidanylheptanoylamino)ethanoyl]-7-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-[2-cyclohexyl-2-(7-hydroxyheptanoylamino)acetyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[2-cyclohexyl-2-[(7-hydroxy-1-oxoheptyl)amino]-1-oxoethyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-cyclohexyl-2-(7-hydroxyheptanoylamino)acetyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[2-cyclohexyl-2-(7-hydroxyheptanoylamino)acetyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C26H38N2O6 MolecularWeight: 474.58972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(CN1C(=O)C(C3CCCCC3)NC(=O)CCCCCCO)C=C(C=C2)O

Isomeric SMILES

COC(=O)C1CC2=C(CN1C(=O)C(C3CCCCC3)NC(=O)CCCCCCO)C=C(C=C2)O

InChI

InChI=1S/C26H38N2O6/c1-34-26(33)22-16-19-12-13-21(30)15-20(19)17-28(22)25(32)24(18-9-5-4-6-10-18)27-23(31)11-7-2-3-8-14-29/h12-13,15,18,22,24,29-30H,2-11,14,16-17H2,1H3,(H,27,31)