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2-methoxycarbonyl-6-oxidanylidene-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-3-carboxylic acid; 1-phenylethanamine
2-methoxycarbonyl-6-oxidanylidene-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-3-carboxylic acid; 1-phenylethanamine
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Descriptors Computed from Structure
Canonical SMILES:
CC(C1=CC=CC=C1)N.COC(=O)N1CC2CCC(=O)CC2CC1C(=O)O
Isomeric SMILES
CC(C1=CC=CC=C1)N.COC(=O)N1CC2CCC(=O)CC2CC1C(=O)O
InChI
InChI=1S/C12H17NO5.C8H11N/c1-18-12(17)13-6-7-2-3-9(14)4-8(7)5-10(13)11(15)16;1-7(9)8-5-3-2-4-6-8/h7-8,10H,2-6H2,1H3,(H,15,16);2-7H,9H2,1H3
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