(2S)-2-azanyl-3-[(1R)-2-methylidenecyclopropyl]propanoic acid; ethyl (2R)-2-[6-(4-chloranylphenoxy)hexyl]oxirane-2-carboxylate

Systemtic Name: (2S)-2-azanyl-3-[(1R)-2-methylidenecyclopropyl]propanoic acid; ethyl (2R)-2-[6-(4-chloranylphenoxy)hexyl]oxirane-2-carboxylate Openeye Name: (2S)-2-amino-3-[(1R)-2-methylenecyclopropyl]propanoic acid; ethyl (2R)-2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylate CAS Name: (2S)-2-amino-3-[(1R)-2-methylenecyclopropyl]propanoic acid; (2R)-2-[6-(4-chlorophenoxy)hexyl]-2-oxiranecarboxylic acid ethyl ester IUPAC Name: (2S)-2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoic acid; ethyl (2R)-2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylate Traditional Name: (2S)-2-amino-3-[(1R)-2-methylenecyclopropyl]propionic acid; (2R)-2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylic acid ethyl ester Formula: C24H34ClNO6 MolecularWeight: 467.98286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CO1)CCCCCCOC2=CC=C(C=C2)Cl.C=C1CC1CC(C(=O)O)N

Isomeric SMILES

CCOC(=O)[C@]1(CO1)CCCCCCOC2=CC=C(C=C2)Cl.C=C1C[C@@H]1C[C@@H](C(=O)O)N

InChI

InChI=1S/C17H23ClO4.C7H11NO2/c1-2-20-16(19)17(13-22-17)11-5-3-4-6-12-21-15-9-7-14(18)8-10-15;1-4-2-5(4)3-6(8)7(9)10/h7-10H,2-6,11-13H2,1H3;5-6H,1-3,8H2,(H,9,10)/t17-;5-,6+/m11/s1