2-[(E)-[10-(3-azanylpropyl)-3,4-dimethyl-acridin-9-ylidene]amino]oxybutanoic acid

Systemtic Name: 2-[(E)-[10-(3-azanylpropyl)-3,4-dimethyl-acridin-9-ylidene]amino]oxybutanoic acid Openeye Name: 2-[(E)-[10-(3-aminopropyl)-3,4-dimethyl-acridin-9-ylidene]amino]oxybutanoic acid CAS Name: 2-[(E)-[10-(3-aminopropyl)-3,4-dimethyl-9-acridinylidene]amino]oxybutanoic acid IUPAC Name: 2-[(E)-[10-(3-aminopropyl)-3,4-dimethylacridin-9-ylidene]amino]oxybutanoic acid Traditional Name: 2-[(E)-[10-(3-aminopropyl)-3,4-dimethyl-acridin-9-ylidene]amino]oxybutyric acid Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)ON=C1C2=C(C(=C(C=C2)C)C)N(C3=CC=CC=C31)CCCN

Isomeric SMILES

CCC(C(=O)O)O/N=C\1/C2=C(C(=C(C=C2)C)C)N(C3=CC=CC=C31)CCCN

InChI

InChI=1S/C22H27N3O3/c1-4-19(22(26)27)28-24-20-16-8-5-6-9-18(16)25(13-7-12-23)21-15(3)14(2)10-11-17(20)21/h5-6,8-11,19H,4,7,12-13,23H2,1-3H3,(H,26,27)/b24-20+