3-[5-aminocarbonyl-9-[(4-chlorophenyl)methyl]-1-heptyl-carbazol-4-yl]oxypropylphosphonic acid

Systemtic Name: 3-[5-aminocarbonyl-9-[(4-chlorophenyl)methyl]-1-heptyl-carbazol-4-yl]oxypropylphosphonic acid Openeye Name: 3-[5-carbamoyl-9-[(4-chlorophenyl)methyl]-1-heptyl-carbazol-4-yl]oxypropylphosphonic acid CAS Name: 3-[[5-carbamoyl-9-[(4-chlorophenyl)methyl]-1-heptyl-4-carbazolyl]oxy]propylphosphonic acid IUPAC Name: 3-[5-carbamoyl-9-[(4-chlorophenyl)methyl]-1-heptylcarbazol-4-yl]oxypropylphosphonic acid Traditional Name: 3-[5-carbamoyl-9-(4-chlorobenzyl)-1-heptyl-carbazol-4-yl]oxypropylphosphonic acid Formula: C30H36ClN2O5P MolecularWeight: 571.044001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C2C(=C(C=C1)OCCCP(=O)(O)O)C3=C(C=CC=C3N2CC4=CC=C(C=C4)Cl)C(=O)N

Isomeric SMILES

CCCCCCCC1=C2C(=C(C=C1)OCCCP(=O)(O)O)C3=C(C=CC=C3N2CC4=CC=C(C=C4)Cl)C(=O)N

InChI

InChI=1S/C30H36ClN2O5P/c1-2-3-4-5-6-9-22-14-17-26(38-18-8-19-39(35,36)37)28-27-24(30(32)34)10-7-11-25(27)33(29(22)28)20-21-12-15-23(31)16-13-21/h7,10-17H,2-6,8-9,18-20H2,1H3,(H2,32,34)(H2,35,36,37)