[3-[1-oxidanyl-2-[(phenylmethyl)amino]ethyl]phenyl] 3-chloranylbenzoate

Systemtic Name: [3-[1-oxidanyl-2-[(phenylmethyl)amino]ethyl]phenyl] 3-chloranylbenzoate Openeye Name: [3-[2-(benzylamino)-1-hydroxy-ethyl]phenyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [3-[1-hydroxy-2-[(phenylmethyl)amino]ethyl]phenyl] ester IUPAC Name: [3-[2-(benzylamino)-1-hydroxyethyl]phenyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [3-[2-(benzylamino)-1-hydroxy-ethyl]phenyl] ester Formula: C22H20ClNO3 MolecularWeight: 381.8521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC(C2=CC(=CC=C2)OC(=O)C3=CC(=CC=C3)Cl)O

Isomeric SMILES

C1=CC=C(C=C1)CNCC(C2=CC(=CC=C2)OC(=O)C3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C22H20ClNO3/c23-19-10-4-9-18(12-19)22(26)27-20-11-5-8-17(13-20)21(25)15-24-14-16-6-2-1-3-7-16/h1-13,21,24-25H,14-15H2