2-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]-phenyl-methyl]benzoic acid

Systemtic Name: 2-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]-phenyl-methyl]benzoic acid Openeye Name: 2-[(S)-[(2S,5R)-4-allyl-2,5-dimethyl-piperazin-1-yl]-phenyl-methyl]benzoic acid CAS Name: 2-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-1-piperazinyl]-phenylmethyl]benzoic acid IUPAC Name: 2-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-phenylmethyl]benzoic acid Traditional Name: 2-[(S)-[(2S,5R)-4-allyl-2,5-dimethyl-piperazino]-phenyl-methyl]benzoic acid Formula: C23H28N2O2 MolecularWeight: 364.48062

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3C(=O)O)C)CC=C

Isomeric SMILES

C[C@H]1CN([C@@H](CN1[C@@H](C2=CC=CC=C2)C3=CC=CC=C3C(=O)O)C)CC=C

InChI

InChI=1S/C23H28N2O2/c1-4-14-24-15-18(3)25(16-17(24)2)22(19-10-6-5-7-11-19)20-12-8-9-13-21(20)23(26)27/h4-13,17-18,22H,1,14-16H2,2-3H3,(H,26,27)/t17-,18+,22+/m1/s1