4-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]-3-methoxycarbonyl-benzoic acid

Systemtic Name: 4-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]-3-methoxycarbonyl-benzoic acid Openeye Name: 4-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]ethylamino]phenyl]-3-methoxycarbonyl-benzoic acid CAS Name: 4-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]-3-methoxycarbonylbenzoic acid IUPAC Name: 4-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]-3-methoxycarbonylbenzoic acid Traditional Name: 3-carbomethoxy-4-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]ethylamino]phenyl]benzoic acid Formula: C25H25ClN2O5 MolecularWeight: 468.9294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C(=O)O)C2=CC(=CC=C2)NCCNCC(C3=CC(=CC=C3)Cl)O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C(=O)O)C2=CC(=CC=C2)NCCNC[C@@H](C3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C25H25ClN2O5/c1-33-25(32)22-14-18(24(30)31)8-9-21(22)16-4-3-7-20(13-16)28-11-10-27-15-23(29)17-5-2-6-19(26)12-17/h2-9,12-14,23,27-29H,10-11,15H2,1H3,(H,30,31)/t23-/m0/s1