[3-azanyl-5-[5-[(E)-4-cyclohexyloxybut-1-enyl]-1-methyl-pyrrol-2-yl]-3-methyl-pentyl]phosphonic acid

Systemtic Name: [3-azanyl-5-[5-[(E)-4-cyclohexyloxybut-1-enyl]-1-methyl-pyrrol-2-yl]-3-methyl-pentyl]phosphonic acid Openeye Name: [3-amino-5-[5-[(E)-4-(cyclohexoxy)but-1-enyl]-1-methyl-pyrrol-2-yl]-3-methyl-pentyl]phosphonic acid CAS Name: [3-amino-5-[5-[(E)-4-cyclohexyloxybut-1-enyl]-1-methyl-2-pyrrolyl]-3-methylpentyl]phosphonic acid IUPAC Name: [3-amino-5-[5-[(E)-4-cyclohexyloxybut-1-enyl]-1-methylpyrrol-2-yl]-3-methylpentyl]phosphonic acid Traditional Name: [3-amino-5-[5-[(E)-4-(cyclohexoxy)but-1-enyl]-1-methyl-pyrrol-2-yl]-3-methyl-pentyl]phosphonic acid Formula: C21H37N2O4P MolecularWeight: 412.503241

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(N1C)C=CCCOC2CCCCC2)(CCP(=O)(O)O)N

Isomeric SMILES

CC(CCC1=CC=C(N1C)/C=C/CCOC2CCCCC2)(CCP(=O)(O)O)N

InChI

InChI=1S/C21H37N2O4P/c1-21(22,15-17-28(24,25)26)14-13-19-12-11-18(23(19)2)8-6-7-16-27-20-9-4-3-5-10-20/h6,8,11-12,20H,3-5,7,9-10,13-17,22H2,1-2H3,(H2,24,25,26)/b8-6+