3-azanyl-7-[3-(3,4-dichlorophenyl)propyl]-12H-benzo[i]phenoxazine-1-carboxylic acid

Systemtic Name: 3-azanyl-7-[3-(3,4-dichlorophenyl)propyl]-12H-benzo[i]phenoxazine-1-carboxylic acid Openeye Name: 3-amino-7-[3-(3,4-dichlorophenyl)propyl]-12H-benzo[i]phenoxazine-1-carboxylic acid CAS Name: 3-amino-7-[3-(3,4-dichlorophenyl)propyl]-12H-benzo[i]phenoxazine-1-carboxylic acid IUPAC Name: 3-amino-7-[3-(3,4-dichlorophenyl)propyl]-12H-benzo[i]phenoxazine-1-carboxylic acid Traditional Name: 3-amino-7-[3-(3,4-dichlorophenyl)propyl]-12H-benzo[i]phenoxazine-1-carboxylic acid Formula: C26H20Cl2N2O3 MolecularWeight: 479.3546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC3=C(C=C2C(=C1)CCCC4=CC(=C(C=C4)Cl)Cl)OC5=C(N3)C(=CC(=C5)N)C(=O)O

Isomeric SMILES

C1=CC2=CC3=C(C=C2C(=C1)CCCC4=CC(=C(C=C4)Cl)Cl)OC5=C(N3)C(=CC(=C5)N)C(=O)O

InChI

InChI=1S/C26H20Cl2N2O3/c27-20-8-7-14(9-21(20)28)3-1-4-15-5-2-6-16-10-22-23(13-18(15)16)33-24-12-17(29)11-19(26(31)32)25(24)30-22/h2,5-13,30H,1,3-4,29H2,(H,31,32)