methyl 4-[3-[4-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]piperazin-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[3-[4-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]piperazin-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[3-[4-[2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]piperazin-1-yl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1-piperazinyl]-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[4-[2-(cyclopropylamino)-2-keto-1-methyl-ethyl]piperazino]-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)N2CCN(CC2)CC(COC3=CC=C(C=C3)C(=O)OC)O

Isomeric SMILES

CC(C(=O)NC1CC1)N2CCN(CC2)CC(COC3=CC=C(C=C3)C(=O)OC)O

InChI

InChI=1S/C21H31N3O5/c1-15(20(26)22-17-5-6-17)24-11-9-23(10-12-24)13-18(25)14-29-19-7-3-16(4-8-19)21(27)28-2/h3-4,7-8,15,17-18,25H,5-6,9-14H2,1-2H3,(H,22,26)