3-[(E)-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 3-[(E)-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 3-[(E)-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxo-prop-1-enyl]benzoic acid CAS Name: 3-[(E)-3-[2-[(4-methyl-1-piperazinyl)methyl]phenyl]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 3-[(E)-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]benzoic acid Traditional Name: 3-[(E)-3-keto-3-[2-[(4-methylpiperazino)methyl]phenyl]prop-1-enyl]benzoic acid Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=CC=C2C(=O)C=CC3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CC2=CC=CC=C2C(=O)/C=C/C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C22H24N2O3/c1-23-11-13-24(14-12-23)16-19-6-2-3-8-20(19)21(25)10-9-17-5-4-7-18(15-17)22(26)27/h2-10,15H,11-14,16H2,1H3,(H,26,27)/b10-9+