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

Systemtic Name: methyl (3S)-2-[(2S)-2-azanyl-2-cyclohexyl-ethanoyl]-7-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxylate hydrochloride Openeye Name: methyl (3S)-2-[(2S)-2-amino-2-cyclohexyl-acetyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylate hydrochloride CAS Name: (3S)-2-[(2S)-2-amino-2-cyclohexyl-1-oxoethyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester hydrochloride IUPAC Name: methyl (3S)-2-[(2S)-2-amino-2-cyclohexylacetyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylate hydrochloride Traditional Name: (3S)-2-[(2S)-2-amino-2-cyclohexyl-acetyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester hydrochloride Formula: C19H27ClN2O4 MolecularWeight: 382.88168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(CN1C(=O)C(C3CCCCC3)N)C=C(C=C2)O.Cl

Isomeric SMILES

COC(=O)[C@@H]1CC2=C(CN1C(=O)[C@H](C3CCCCC3)N)C=C(C=C2)O.Cl

InChI

InChI=1S/C19H26N2O4.ClH/c1-25-19(24)16-10-13-7-8-15(22)9-14(13)11-21(16)18(23)17(20)12-5-3-2-4-6-12;/h7-9,12,16-17,22H,2-6,10-11,20H2,1H3;1H/t16-,17-;/m0./s1