ethyl 3-[(4-tert-butylphenyl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate

Systemtic Name: ethyl 3-[(4-tert-butylphenyl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: ethyl 3-[(4-tert-butylbenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-tert-butylbenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[(4-tert-butylbenzoyl)amino]-4-(4-ethylpiperazino)benzoic acid ethyl ester Formula: C26H35N3O3 MolecularWeight: 437.5744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H35N3O3/c1-6-28-14-16-29(17-15-28)23-13-10-20(25(31)32-7-2)18-22(23)27-24(30)19-8-11-21(12-9-19)26(3,4)5/h8-13,18H,6-7,14-17H2,1-5H3,(H,27,30)