(E)-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-8-methyl-non-6-enamide; 2-(phosphonomethylamino)ethanoic acid

Systemtic Name: (E)-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-8-methyl-non-6-enamide; 2-(phosphonomethylamino)ethanoic acid Openeye Name: (E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-non-6-enamide; 2-(phosphonomethylamino)acetic acid CAS Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide; 2-(phosphonomethylamino)acetic acid IUPAC Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide; 2-(phosphonomethylamino)acetic acid Traditional Name: (E)-8-methyl-N-vanillyl-non-6-enamide; 2-(phosphonomethylamino)acetic acid Formula: C21H35N2O8P MolecularWeight: 474.484961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC.C(C(=O)O)NCP(=O)(O)O

Isomeric SMILES

CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC.C(C(=O)O)NCP(=O)(O)O

InChI

InChI=1S/C18H27NO3.C3H8NO5P/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3;5-3(6)1-4-2-10(7,8)9/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21);4H,1-2H2,(H,5,6)(H2,7,8,9)/b8-6+;