2-(2H-chromen-4-yl)-3-[(4-phenylpiperazin-1-yl)methyl]benzoic acid

Systemtic Name: 2-(2H-chromen-4-yl)-3-[(4-phenylpiperazin-1-yl)methyl]benzoic acid Openeye Name: 2-(2H-chromen-4-yl)-3-[(4-phenylpiperazin-1-yl)methyl]benzoic acid CAS Name: 2-(2H-1-benzopyran-4-yl)-3-[(4-phenyl-1-piperazinyl)methyl]benzoic acid IUPAC Name: 2-(2H-chromen-4-yl)-3-[(4-phenylpiperazin-1-yl)methyl]benzoic acid Traditional Name: 2-(2H-chromen-4-yl)-3-[(4-phenylpiperazino)methyl]benzoic acid Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2C3=CCOC4=CC=CC=C34)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2C3=CCOC4=CC=CC=C34)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C27H26N2O3/c30-27(31)24-11-6-7-20(26(24)23-13-18-32-25-12-5-4-10-22(23)25)19-28-14-16-29(17-15-28)21-8-2-1-3-9-21/h1-13H,14-19H2,(H,30,31)