[3-azanyl-3-methyl-5-[1-methyl-3-[3-(4-methylphenoxy)prop-1-ynyl]pyrrol-2-yl]pentyl]phosphonic acid

Systemtic Name: [3-azanyl-3-methyl-5-[1-methyl-3-[3-(4-methylphenoxy)prop-1-ynyl]pyrrol-2-yl]pentyl]phosphonic acid Openeye Name: [3-amino-3-methyl-5-[1-methyl-3-[3-(4-methylphenoxy)prop-1-ynyl]pyrrol-2-yl]pentyl]phosphonic acid CAS Name: [3-amino-3-methyl-5-[1-methyl-3-[3-(4-methylphenoxy)prop-1-ynyl]-2-pyrrolyl]pentyl]phosphonic acid IUPAC Name: [3-amino-3-methyl-5-[1-methyl-3-[3-(4-methylphenoxy)prop-1-ynyl]pyrrol-2-yl]pentyl]phosphonic acid Traditional Name: [3-amino-3-methyl-5-[1-methyl-3-[3-(4-methylphenoxy)prop-1-ynyl]pyrrol-2-yl]pentyl]phosphonic acid Formula: C21H29N2O4P MolecularWeight: 404.439721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC#CC2=C(N(C=C2)C)CCC(C)(CCP(=O)(O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)OCC#CC2=C(N(C=C2)C)CCC(C)(CCP(=O)(O)O)N

InChI

InChI=1S/C21H29N2O4P/c1-17-6-8-19(9-7-17)27-15-4-5-18-11-14-23(3)20(18)10-12-21(2,22)13-16-28(24,25)26/h6-9,11,14H,10,12-13,15-16,22H2,1-3H3,(H2,24,25,26)