[3-azanyl-5-[1-ethyl-5-(4-phenylbutanoyl)pyrrol-2-yl]-3-methyl-pentyl]phosphonic acid

Systemtic Name: [3-azanyl-5-[1-ethyl-5-(4-phenylbutanoyl)pyrrol-2-yl]-3-methyl-pentyl]phosphonic acid Openeye Name: [3-amino-5-[1-ethyl-5-(4-phenylbutanoyl)pyrrol-2-yl]-3-methyl-pentyl]phosphonic acid CAS Name: [3-amino-5-[1-ethyl-5-(1-oxo-4-phenylbutyl)-2-pyrrolyl]-3-methylpentyl]phosphonic acid IUPAC Name: [3-amino-5-[1-ethyl-5-(4-phenylbutanoyl)pyrrol-2-yl]-3-methylpentyl]phosphonic acid Traditional Name: [3-amino-5-[1-ethyl-5-(4-phenylbutanoyl)pyrrol-2-yl]-3-methyl-pentyl]phosphonic acid Formula: C22H33N2O4P MolecularWeight: 420.482181

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=C1C(=O)CCCC2=CC=CC=C2)CCC(C)(CCP(=O)(O)O)N

Isomeric SMILES

CCN1C(=CC=C1C(=O)CCCC2=CC=CC=C2)CCC(C)(CCP(=O)(O)O)N

InChI

InChI=1S/C22H33N2O4P/c1-3-24-19(14-15-22(2,23)16-17-29(26,27)28)12-13-20(24)21(25)11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12-13H,3,7,10-11,14-17,23H2,1-2H3,(H2,26,27,28)