methyl 3-[(4-tert-butylphenyl)carbonylamino]-4-(4-methylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[(4-tert-butylphenyl)carbonylamino]-4-(4-methylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[(4-tert-butylbenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(4-tert-butylbenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate Traditional Name: 3-[(4-tert-butylbenzoyl)amino]-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C24H31N3O3 MolecularWeight: 409.52124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C

InChI

InChI=1S/C24H31N3O3/c1-24(2,3)19-9-6-17(7-10-19)22(28)25-20-16-18(23(29)30-5)8-11-21(20)27-14-12-26(4)13-15-27/h6-11,16H,12-15H2,1-5H3,(H,25,28)