ethyl 4-[[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[1-[4-(3-cyclopentylpropanoyl)piperazine-1-carbonyl]-2-methyl-butyl]carbamoylamino]benzoate CAS Name: 4-[[[[1-[4-(3-cyclopentyl-1-oxopropyl)-1-piperazinyl]-3-methyl-1-oxopentan-2-yl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoylamino]benzoate Traditional Name: 4-[[1-[4-(3-cyclopentylpropanoyl)piperazine-1-carbonyl]-2-methyl-butyl]carbamoylamino]benzoic acid ethyl ester Formula: C28H42N4O5 MolecularWeight: 514.65688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)C(=O)CCC2CCCC2)NC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCC(C)C(C(=O)N1CCN(CC1)C(=O)CCC2CCCC2)NC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C28H42N4O5/c1-4-20(3)25(30-28(36)29-23-13-11-22(12-14-23)27(35)37-5-2)26(34)32-18-16-31(17-19-32)24(33)15-10-21-8-6-7-9-21/h11-14,20-21,25H,4-10,15-19H2,1-3H3,(H2,29,30,36)