3-[4-[4-(2-oxidanylidenechromen-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid

Systemtic Name: 3-[4-[4-(2-oxidanylidenechromen-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Openeye Name: 3-[4-[4-(2-oxochromen-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid CAS Name: 3-[4-[4-(2-oxo-1-benzopyran-4-yl)-1-piperazinyl]butyl]-1H-indole-5-carboxylic acid IUPAC Name: 3-[4-[4-(2-oxochromen-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Traditional Name: 3-[4-[4-(2-ketochromen-4-yl)piperazino]butyl]-1H-indole-5-carboxylic acid Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C(=O)O)C4=CC(=O)OC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C(=O)O)C4=CC(=O)OC5=CC=CC=C54

InChI

InChI=1S/C26H27N3O4/c30-25-16-23(20-6-1-2-7-24(20)33-25)29-13-11-28(12-14-29)10-4-3-5-19-17-27-22-9-8-18(26(31)32)15-21(19)22/h1-2,6-9,15-17,27H,3-5,10-14H2,(H,31,32)