[4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-[(4-methoxyphenyl)methylamino]phenyl] pentanoate

Systemtic Name: [4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-[(4-methoxyphenyl)methylamino]phenyl] pentanoate Openeye Name: [4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-[(4-methoxyphenyl)methylamino]phenyl] pentanoate CAS Name: pentanoic acid [4-[2-(tert-butylamino)-1-hydroxyethyl]-2-[(4-methoxyphenyl)methylamino]phenyl] ester IUPAC Name: [4-[2-(tert-butylamino)-1-hydroxyethyl]-2-[(4-methoxyphenyl)methylamino]phenyl] pentanoate Traditional Name: valeric acid [4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-(p-anisylamino)phenyl] ester Formula: C25H36N2O4 MolecularWeight: 428.56434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(C=C(C=C1)C(CNC(C)(C)C)O)NCC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCC(=O)OC1=C(C=C(C=C1)C(CNC(C)(C)C)O)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C25H36N2O4/c1-6-7-8-24(29)31-23-14-11-19(22(28)17-27-25(2,3)4)15-21(23)26-16-18-9-12-20(30-5)13-10-18/h9-15,22,26-28H,6-8,16-17H2,1-5H3