methyl 2-[2-cyclohexyl-2-(hept-6-enoylamino)ethanoyl]-7-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-[2-cyclohexyl-2-(hept-6-enoylamino)ethanoyl]-7-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-[2-cyclohexyl-2-(hept-6-enoylamino)acetyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[2-cyclohexyl-1-oxo-2-(1-oxohept-6-enylamino)ethyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-cyclohexyl-2-(hept-6-enoylamino)acetyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[2-cyclohexyl-2-(hept-6-enoylamino)acetyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C26H36N2O5 MolecularWeight: 456.57444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O5/c1-3-4-5-9-12-23(30)27-24(18-10-7-6-8-11-18)25(31)28-17-20-15-21(29)14-13-19(20)16-22(28)26(32)33-2/h3,13-15,18,22,24,29H,1,4-12,16-17H2,2H3,(H,27,30)