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

Systemtic Name: 3-[4-[4-(7-cyano-2-oxidanylidene-chromen-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Openeye Name: 3-[4-[4-(7-cyano-2-oxo-chromen-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid CAS Name: 3-[4-[4-(7-cyano-2-oxo-1-benzopyran-4-yl)-1-piperazinyl]butyl]-1H-indole-5-carboxylic acid IUPAC Name: 3-[4-[4-(7-cyano-2-oxochromen-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Traditional Name: 3-[4-[4-(7-cyano-2-keto-chromen-4-yl)piperazino]butyl]-1H-indole-5-carboxylic acid Formula: C27H26N4O4 MolecularWeight: 470.51974

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O4/c28-16-18-4-6-21-24(15-26(32)35-25(21)13-18)31-11-9-30(10-12-31)8-2-1-3-20-17-29-23-7-5-19(27(33)34)14-22(20)23/h4-7,13-15,17,29H,1-3,8-12H2,(H,33,34)