2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(4-phenoxycyclohexyl)amino]benzoic acid

Systemtic Name: 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(4-phenoxycyclohexyl)amino]benzoic acid Openeye Name: 4-tert-butoxycarbonyl-2-methyl-3-[(4-phenoxycyclohexyl)amino]benzoic acid CAS Name: 2-methyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-[(4-phenoxycyclohexyl)amino]benzoic acid IUPAC Name: 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(4-phenoxycyclohexyl)amino]benzoic acid Traditional Name: 4-tert-butoxycarbonyl-2-methyl-3-[(4-phenoxycyclohexyl)amino]benzoic acid Formula: C25H31NO5 MolecularWeight: 425.51734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1NC2CCC(CC2)OC3=CC=CC=C3)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1NC2CCC(CC2)OC3=CC=CC=C3)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C25H31NO5/c1-16-20(23(27)28)14-15-21(24(29)31-25(2,3)4)22(16)26-17-10-12-19(13-11-17)30-18-8-6-5-7-9-18/h5-9,14-15,17,19,26H,10-13H2,1-4H3,(H,27,28)