4-[(E)-3-[3,5-bis(dimethylaminomethyl)-4-oxidanyl-phenyl]-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-[3,5-bis(dimethylaminomethyl)-4-oxidanyl-phenyl]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-[3,5-bis(dimethylaminomethyl)-4-hydroxy-phenyl]-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-[3,5-bis(dimethylaminomethyl)-4-hydroxyphenyl]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[3,5-bis(dimethylaminomethyl)-4-hydroxyphenyl]-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-[3,5-bis(dimethylaminomethyl)-4-hydroxy-phenyl]-3-keto-prop-1-enyl]benzoic acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)/C=C/C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C22H26N2O4/c1-23(2)13-18-11-17(12-19(21(18)26)14-24(3)4)20(25)10-7-15-5-8-16(9-6-15)22(27)28/h5-12,26H,13-14H2,1-4H3,(H,27,28)/b10-7+