4-[[(2R,5S)-4-[(R)-[4-(diethylcarbamoyl)phenyl]-(3-hydroxyphenyl)methyl]-2,5-dimethyl-piperazin-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[(2R,5S)-4-[(R)-[4-(diethylcarbamoyl)phenyl]-(3-hydroxyphenyl)methyl]-2,5-dimethyl-piperazin-1-yl]methyl]benzoic acid Openeye Name: 4-[[(2R,5S)-4-[(R)-[4-(diethylcarbamoyl)phenyl]-(3-hydroxyphenyl)methyl]-2,5-dimethyl-piperazin-1-yl]methyl]benzoic acid CAS Name: 4-[[(2R,5S)-4-[(R)-[4-[diethylamino(oxo)methyl]phenyl]-(3-hydroxyphenyl)methyl]-2,5-dimethyl-1-piperazinyl]methyl]benzoic acid IUPAC Name: 4-[[(2R,5S)-4-[(R)-[4-(diethylcarbamoyl)phenyl]-(3-hydroxyphenyl)methyl]-2,5-dimethylpiperazin-1-yl]methyl]benzoic acid Traditional Name: 4-[[(2R,5S)-4-[(R)-[4-(diethylcarbamoyl)phenyl]-(3-hydroxyphenyl)methyl]-2,5-dimethyl-piperazino]methyl]benzoic acid Formula: C32H39N3O4 MolecularWeight: 529.66976

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)O)N3CC(N(CC3C)CC4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)[C@H](C2=CC(=CC=C2)O)N3C[C@H](N(C[C@@H]3C)CC4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C32H39N3O4/c1-5-33(6-2)31(37)26-16-14-25(15-17-26)30(28-8-7-9-29(36)18-28)35-20-22(3)34(19-23(35)4)21-24-10-12-27(13-11-24)32(38)39/h7-18,22-23,30,36H,5-6,19-21H2,1-4H3,(H,38,39)/t22-,23+,30-/m1/s1