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

Systemtic Name: methyl 4-[2-[4-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]piperazin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H28N4O4 MolecularWeight: 388.46072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C(=O)NC1CC1)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H28N4O4/c1-14(19(26)22-17-7-8-17)24-11-9-23(10-12-24)13-18(25)21-16-5-3-15(4-6-16)20(27)28-2/h3-6,14,17H,7-13H2,1-2H3,(H,21,25)(H,22,26)