[4-[[(E)-3-(2-methoxyphenyl)but-2-enyl]-methyl-amino]-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[[(E)-3-(2-methoxyphenyl)but-2-enyl]-methyl-amino]-1-phosphono-butyl]phosphonic acid Openeye Name: [4-[[(E)-3-(2-methoxyphenyl)but-2-enyl]-methyl-amino]-1-phosphono-butyl]phosphonic acid CAS Name: [4-[[(E)-3-(2-methoxyphenyl)but-2-enyl]-methylamino]-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-[[(E)-3-(2-methoxyphenyl)but-2-enyl]-methylamino]-1-phosphonobutyl]phosphonic acid Traditional Name: [4-[[(E)-3-(2-methoxyphenyl)but-2-enyl]-methyl-amino]-1-phosphono-butyl]phosphonic acid Formula: C16H27NO7P2 MolecularWeight: 407.335602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN(C)CCCC(P(=O)(O)O)P(=O)(O)O)C1=CC=CC=C1OC

Isomeric SMILES

C/C(=C\CN(C)CCCC(P(=O)(O)O)P(=O)(O)O)/C1=CC=CC=C1OC

InChI

InChI=1S/C16H27NO7P2/c1-13(14-7-4-5-8-15(14)24-3)10-12-17(2)11-6-9-16(25(18,19)20)26(21,22)23/h4-5,7-8,10,16H,6,9,11-12H2,1-3H3,(H2,18,19,20)(H2,21,22,23)/b13-10+