2-[4-[methyl(prop-2-enyl)amino]butyl]-3-phosphono-butanedioic acid

Systemtic Name: 2-[4-[methyl(prop-2-enyl)amino]butyl]-3-phosphono-butanedioic acid Openeye Name: 2-[4-[allyl(methyl)amino]butyl]-3-phosphono-butanedioic acid CAS Name: 2-[4-[methyl(prop-2-enyl)amino]butyl]-3-phosphonobutanedioic acid IUPAC Name: 2-[4-[methyl(prop-2-enyl)amino]butyl]-3-phosphonobutanedioic acid Traditional Name: 2-[4-[allyl(methyl)amino]butyl]-3-phosphono-succinic acid Formula: C12H22NO7P MolecularWeight: 323.279341

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC(C(C(=O)O)P(=O)(O)O)C(=O)O)CC=C

Isomeric SMILES

CN(CCCCC(C(C(=O)O)P(=O)(O)O)C(=O)O)CC=C

InChI

InChI=1S/C12H22NO7P/c1-3-7-13(2)8-5-4-6-9(11(14)15)10(12(16)17)21(18,19)20/h3,9-10H,1,4-8H2,2H3,(H,14,15)(H,16,17)(H2,18,19,20)