3-[(2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]benzoic acid

Systemtic Name: 3-[(2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]benzoic acid Openeye Name: 3-[(4-allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]benzoic acid CAS Name: 3-[(2,5-dimethyl-4-prop-2-enyl-1-piperazinyl)-(3-hydroxyphenyl)methyl]benzoic acid IUPAC Name: 3-[(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]benzoic acid Traditional Name: 3-[(4-allyl-2,5-dimethyl-piperazino)-(3-hydroxyphenyl)methyl]benzoic acid Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(C2=CC(=CC=C2)O)C3=CC=CC(=C3)C(=O)O)C)CC=C

Isomeric SMILES

CC1CN(C(CN1C(C2=CC(=CC=C2)O)C3=CC=CC(=C3)C(=O)O)C)CC=C

InChI

InChI=1S/C23H28N2O3/c1-4-11-24-14-17(3)25(15-16(24)2)22(19-8-6-10-21(26)13-19)18-7-5-9-20(12-18)23(27)28/h4-10,12-13,16-17,22,26H,1,11,14-15H2,2-3H3,(H,27,28)