methyl 2-[(3S,7R)-3-azanyl-2-oxidanylidene-7-prop-2-enyl-azepan-1-yl]ethanoate

Systemtic Name: methyl 2-[(3S,7R)-3-azanyl-2-oxidanylidene-7-prop-2-enyl-azepan-1-yl]ethanoate Openeye Name: methyl 2-[(3S,7R)-7-allyl-3-amino-2-oxo-azepan-1-yl]acetate CAS Name: 2-[(3S,7R)-3-amino-2-oxo-7-prop-2-enyl-1-azepanyl]acetic acid methyl ester IUPAC Name: methyl 2-[(3S,7R)-3-amino-2-oxo-7-prop-2-enylazepan-1-yl]acetate Traditional Name: 2-[(3S,7R)-7-allyl-3-amino-2-keto-azepan-1-yl]acetic acid methyl ester Formula: C12H20N2O3 MolecularWeight: 240.2988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(CCCC(C1=O)N)CC=C

Isomeric SMILES

COC(=O)CN1[C@H](CCC[C@@H](C1=O)N)CC=C

InChI

InChI=1S/C12H20N2O3/c1-3-5-9-6-4-7-10(13)12(16)14(9)8-11(15)17-2/h3,9-10H,1,4-8,13H2,2H3/t9-,10-/m0/s1