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

Systemtic Name: 3-[(E)-[10-(3-azanylpropyl)-3,4-dimethyl-acridin-9-ylidene]amino]oxypropanoic acid Openeye Name: 3-[(E)-[10-(3-aminopropyl)-3,4-dimethyl-acridin-9-ylidene]amino]oxypropanoic acid CAS Name: 3-[(E)-[10-(3-aminopropyl)-3,4-dimethyl-9-acridinylidene]amino]oxypropanoic acid IUPAC Name: 3-[(E)-[10-(3-aminopropyl)-3,4-dimethylacridin-9-ylidene]amino]oxypropanoic acid Traditional Name: 3-[(E)-[10-(3-aminopropyl)-3,4-dimethyl-acridin-9-ylidene]amino]oxypropionic acid Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=NOCCC(=O)O)C3=CC=CC=C3N2CCCN)C

Isomeric SMILES

CC1=C(C2=C(C=C1)/C(=N/OCCC(=O)O)/C3=CC=CC=C3N2CCCN)C

InChI

InChI=1S/C21H25N3O3/c1-14-8-9-17-20(23-27-13-10-19(25)26)16-6-3-4-7-18(16)24(12-5-11-22)21(17)15(14)2/h3-4,6-9H,5,10-13,22H2,1-2H3,(H,25,26)/b23-20+