2-[7-chloranyl-2-oxidanylidene-4-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]chromen-3-yl]ethanoic acid

Systemtic Name: 2-[7-chloranyl-2-oxidanylidene-4-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]chromen-3-yl]ethanoic acid Openeye Name: 2-[7-chloro-2-oxo-4-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]chromen-3-yl]acetic acid CAS Name: 2-[7-chloro-2-oxo-4-phenyl-6-[(4-phenyl-1-piperazinyl)methyl]-1-benzopyran-3-yl]acetic acid IUPAC Name: 2-[7-chloro-2-oxo-4-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]chromen-3-yl]acetic acid Traditional Name: 2-[7-chloro-2-keto-4-phenyl-6-[(4-phenylpiperazino)methyl]chromen-3-yl]acetic acid Formula: C28H25ClN2O4 MolecularWeight: 488.9621

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=C3C(=C2)C(=C(C(=O)O3)CC(=O)O)C4=CC=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=C(C=C3C(=C2)C(=C(C(=O)O3)CC(=O)O)C4=CC=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C28H25ClN2O4/c29-24-17-25-22(27(19-7-3-1-4-8-19)23(16-26(32)33)28(34)35-25)15-20(24)18-30-11-13-31(14-12-30)21-9-5-2-6-10-21/h1-10,15,17H,11-14,16,18H2,(H,32,33)