[4-[2-(methylamino)ethyl]-2-(2-methylpropanoyloxy)phenyl] 4-methylbenzoate

Systemtic Name: [4-[2-(methylamino)ethyl]-2-(2-methylpropanoyloxy)phenyl] 4-methylbenzoate Openeye Name: [4-[2-(methylamino)ethyl]-2-(2-methylpropanoyloxy)phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[2-(methylamino)ethyl]-2-(2-methyl-1-oxopropoxy)phenyl] ester IUPAC Name: [4-[2-(methylamino)ethyl]-2-(2-methylpropanoyloxy)phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-isobutyryloxy-4-[2-(methylamino)ethyl]phenyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCNC)OC(=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCNC)OC(=O)C(C)C

InChI

InChI=1S/C21H25NO4/c1-14(2)20(23)26-19-13-16(11-12-22-4)7-10-18(19)25-21(24)17-8-5-15(3)6-9-17/h5-10,13-14,22H,11-12H2,1-4H3