ethyl 4-[[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]carbamoylamino]benzoate CAS Name: 4-[[[4-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]anilino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]carbamoylamino]benzoate Traditional Name: 4-[[4-[4-(3,3-dimethylbutanoyl)piperazino]phenyl]carbamoylamino]benzoic acid ethyl ester Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)CC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)CC(C)(C)C

InChI

InChI=1S/C26H34N4O4/c1-5-34-24(32)19-6-8-20(9-7-19)27-25(33)28-21-10-12-22(13-11-21)29-14-16-30(17-15-29)23(31)18-26(2,3)4/h6-13H,5,14-18H2,1-4H3,(H2,27,28,33)