ethyl 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[(4-ethylphenyl)carbamoylamino]benzoate

Systemtic Name: ethyl 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[(4-ethylphenyl)carbamoylamino]benzoate Openeye Name: ethyl 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[(4-ethylphenyl)carbamoylamino]benzoate CAS Name: 4-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[[(4-ethylanilino)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[(4-ethylphenyl)carbamoylamino]benzoate Traditional Name: 4-[4-(2,5-dimethylphenyl)piperazino]-3-[(4-ethylphenyl)carbamoylamino]benzoic acid ethyl ester Formula: C30H36N4O3 MolecularWeight: 500.63184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CCN(CC3)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CCN(CC3)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C30H36N4O3/c1-5-23-9-12-25(13-10-23)31-30(36)32-26-20-24(29(35)37-6-2)11-14-27(26)33-15-17-34(18-16-33)28-19-21(3)7-8-22(28)4/h7-14,19-20H,5-6,15-18H2,1-4H3,(H2,31,32,36)