3-[[5-aminocarbonyl-2-octyl-9-(phenylmethyl)-5,6,7,8-tetrahydrocarbazol-3-yl]oxy]propylphosphonic acid

Systemtic Name: 3-[[5-aminocarbonyl-2-octyl-9-(phenylmethyl)-5,6,7,8-tetrahydrocarbazol-3-yl]oxy]propylphosphonic acid Openeye Name: 3-[(9-benzyl-5-carbamoyl-2-octyl-5,6,7,8-tetrahydrocarbazol-3-yl)oxy]propylphosphonic acid CAS Name: 3-[[5-carbamoyl-2-octyl-9-(phenylmethyl)-5,6,7,8-tetrahydrocarbazol-3-yl]oxy]propylphosphonic acid IUPAC Name: 3-[(9-benzyl-5-carbamoyl-2-octyl-5,6,7,8-tetrahydrocarbazol-3-yl)oxy]propylphosphonic acid Traditional Name: 3-[(9-benzyl-5-carbamoyl-2-octyl-5,6,7,8-tetrahydrocarbazol-3-yl)oxy]propylphosphonic acid Formula: C31H43N2O5P MolecularWeight: 554.657281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C2C(=C1)N(C3=C2C(CCC3)C(=O)N)CC4=CC=CC=C4)OCCCP(=O)(O)O

Isomeric SMILES

CCCCCCCCC1=C(C=C2C(=C1)N(C3=C2C(CCC3)C(=O)N)CC4=CC=CC=C4)OCCCP(=O)(O)O

InChI

InChI=1S/C31H43N2O5P/c1-2-3-4-5-6-10-15-24-20-28-26(21-29(24)38-18-12-19-39(35,36)37)30-25(31(32)34)16-11-17-27(30)33(28)22-23-13-8-7-9-14-23/h7-9,13-14,20-21,25H,2-6,10-12,15-19,22H2,1H3,(H2,32,34)(H2,35,36,37)