(hex-5-en-1-yn-3-ylamino) 1-methyl-6-oxidanyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate

Systemtic Name: (hex-5-en-1-yn-3-ylamino) 1-methyl-6-oxidanyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate Openeye Name: (1-ethynylbut-3-enylamino) 6-hydroxy-1-methyl-tetralin-2-carboxylate CAS Name: 6-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (hex-5-en-1-yn-3-ylamino) ester IUPAC Name: (hex-5-en-1-yn-3-ylamino) 6-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate Traditional Name: 6-hydroxy-1-methyl-tetralin-2-carboxylic acid (1-ethynylbut-3-enylamino) ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC2=C1C=CC(=C2)O)C(=O)ONC(CC=C)C#C

Isomeric SMILES

CC1C(CCC2=C1C=CC(=C2)O)C(=O)ONC(CC=C)C#C

InChI

InChI=1S/C18H21NO3/c1-4-6-14(5-2)19-22-18(21)17-9-7-13-11-15(20)8-10-16(13)12(17)3/h2,4,8,10-12,14,17,19-20H,1,6-7,9H2,3H3