methyl 3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]-4-methyl-benzoate

Systemtic Name: methyl 3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]-4-methyl-benzoate Openeye Name: methyl 3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]ethylamino]phenyl]-4-methyl-benzoate CAS Name: 3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]-4-methylbenzoate Traditional Name: 3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]ethylamino]phenyl]-4-methyl-benzoic acid methyl ester Formula: C25H27ClN2O3 MolecularWeight: 438.94648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)C2=CC(=CC=C2)NCCNCC(C3=CC(=CC=C3)Cl)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)C2=CC(=CC=C2)NCCNC[C@@H](C3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C25H27ClN2O3/c1-17-9-10-20(25(30)31-2)15-23(17)18-5-4-8-22(14-18)28-12-11-27-16-24(29)19-6-3-7-21(26)13-19/h3-10,13-15,24,27-29H,11-12,16H2,1-2H3/t24-/m0/s1