propyl 4-[2-[4-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]piperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: propyl 4-[2-[4-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]piperazin-1-yl]ethanoylamino]benzoate Openeye Name: propyl 4-[[2-[4-[2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1-piperazinyl]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-[2-(cyclopropylamino)-2-keto-1-methyl-ethyl]piperazino]acetyl]amino]benzoic acid propyl ester Formula: C22H32N4O4 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(C)C(=O)NC3CC3

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(C)C(=O)NC3CC3

InChI

InChI=1S/C22H32N4O4/c1-3-14-30-22(29)17-4-6-18(7-5-17)23-20(27)15-25-10-12-26(13-11-25)16(2)21(28)24-19-8-9-19/h4-7,16,19H,3,8-15H2,1-2H3,(H,23,27)(H,24,28)