3-[4-[4-(7-chloranyl-2-oxidanylidene-chromen-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid

Systemtic Name: 3-[4-[4-(7-chloranyl-2-oxidanylidene-chromen-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Openeye Name: 3-[4-[4-(7-chloro-2-oxo-chromen-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid CAS Name: 3-[4-[4-(7-chloro-2-oxo-1-benzopyran-4-yl)-1-piperazinyl]butyl]-1H-indole-5-carboxylic acid IUPAC Name: 3-[4-[4-(7-chloro-2-oxochromen-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Traditional Name: 3-[4-[4-(7-chloro-2-keto-chromen-4-yl)piperazino]butyl]-1H-indole-5-carboxylic acid Formula: C26H26ClN3O4 MolecularWeight: 479.95534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C(=O)O)C4=CC(=O)OC5=C4C=CC(=C5)Cl

Isomeric SMILES

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C(=O)O)C4=CC(=O)OC5=C4C=CC(=C5)Cl

InChI

InChI=1S/C26H26ClN3O4/c27-19-5-6-20-23(15-25(31)34-24(20)14-19)30-11-9-29(10-12-30)8-2-1-3-18-16-28-22-7-4-17(26(32)33)13-21(18)22/h4-7,13-16,28H,1-3,8-12H2,(H,32,33)