[4-[2-[2-[(4-acetamidophenyl)carbonylamino]ethylamino]-1-oxidanyl-ethyl]phenyl] ethanoate

Systemtic Name: [4-[2-[2-[(4-acetamidophenyl)carbonylamino]ethylamino]-1-oxidanyl-ethyl]phenyl] ethanoate Openeye Name: [4-[2-[2-[(4-acetamidobenzoyl)amino]ethylamino]-1-hydroxy-ethyl]phenyl] acetate CAS Name: acetic acid [4-[2-[2-[[(4-acetamidophenyl)-oxomethyl]amino]ethylamino]-1-hydroxyethyl]phenyl] ester IUPAC Name: [4-[2-[2-[(4-acetamidobenzoyl)amino]ethylamino]-1-hydroxyethyl]phenyl] acetate Traditional Name: acetic acid [4-[2-[2-[(4-acetamidobenzoyl)amino]ethylamino]-1-hydroxy-ethyl]phenyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NCCNCC(C2=CC=C(C=C2)OC(=O)C)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NCCNCC(C2=CC=C(C=C2)OC(=O)C)O

InChI

InChI=1S/C21H25N3O5/c1-14(25)24-18-7-3-17(4-8-18)21(28)23-12-11-22-13-20(27)16-5-9-19(10-6-16)29-15(2)26/h3-10,20,22,27H,11-13H2,1-2H3,(H,23,28)(H,24,25)