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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)C(=O)O)C2CCC(CC2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)C(=O)O)C2CCC(CC2)OC3=CC=CC=C3

InChI

InChI=1S/C25H31NO5/c1-25(2,3)31-24(29)26(17-18-9-11-19(12-10-18)23(27)28)20-13-15-22(16-14-20)30-21-7-5-4-6-8-21/h4-12,20,22H,13-17H2,1-3H3,(H,27,28)