ethyl 2-[[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]carbamoylamino]ethanoate

Systemtic Name: ethyl 2-[[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]carbamoylamino]ethanoate Openeye Name: ethyl 2-[[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]carbamoylamino]acetate CAS Name: 2-[[[4-[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]anilino]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]carbamoylamino]acetate Traditional Name: 2-[[4-[4-(2-ethylbutanoyl)piperazino]phenyl]carbamoylamino]acetic acid ethyl ester Formula: C21H32N4O4 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NCC(=O)OCC

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NCC(=O)OCC

InChI

InChI=1S/C21H32N4O4/c1-4-16(5-2)20(27)25-13-11-24(12-14-25)18-9-7-17(8-10-18)23-21(28)22-15-19(26)29-6-3/h7-10,16H,4-6,11-15H2,1-3H3,(H2,22,23,28)