benzoic acid; 1-carbazol-9-yl-3-(furan-2-ylmethylamino)propan-2-ol

Systemtic Name: benzoic acid; 1-carbazol-9-yl-3-(furan-2-ylmethylamino)propan-2-ol Openeye Name: benzoic acid; 1-carbazol-9-yl-3-(2-furylmethylamino)propan-2-ol CAS Name: benzoic acid; 1-(9-carbazolyl)-3-(2-furanylmethylamino)-2-propanol IUPAC Name: benzoic acid; 1-carbazol-9-yl-3-(furan-2-ylmethylamino)propan-2-ol Traditional Name: benzoic acid; 1-carbazol-9-yl-3-(2-furfurylamino)propan-2-ol Formula: C27H26N2O4 MolecularWeight: 442.50634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)O.C1=CC=C2C(=C1)C3=CC=CC=C3N2CC(CNCC4=CC=CO4)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O.C1=CC=C2C(=C1)C3=CC=CC=C3N2CC(CNCC4=CC=CO4)O

InChI

InChI=1S/C20H20N2O2.C7H6O2/c23-15(12-21-13-16-6-5-11-24-16)14-22-19-9-3-1-7-17(19)18-8-2-4-10-20(18)22;8-7(9)6-4-2-1-3-5-6/h1-11,15,21,23H,12-14H2;1-5H,(H,8,9)