1H-benzo[f]chromene; 4-piperazin-1-ylbutanoic acid

Systemtic Name: 1H-benzo[f]chromene; 4-piperazin-1-ylbutanoic acid Openeye Name: 1H-benzo[f]chromene; 4-piperazin-1-ylbutanoic acid CAS Name: 1H-benzo[f][1]benzopyran; 4-(1-piperazinyl)butanoic acid IUPAC Name: 1H-benzo[f]chromene; 4-piperazin-1-ylbutanoic acid Traditional Name: 1H-benzo[f]chromene; 4-piperazinobutyric acid Formula: C21H26N2O3 MolecularWeight: 354.44274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCC(=O)O.C1C=COC2=C1C3=CC=CC=C3C=C2

Isomeric SMILES

C1CN(CCN1)CCCC(=O)O.C1C=COC2=C1C3=CC=CC=C3C=C2

InChI

InChI=1S/C13H10O.C8H16N2O2/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13;11-8(12)2-1-5-10-6-3-9-4-7-10/h1-5,7-9H,6H2;9H,1-7H2,(H,11,12)