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

Systemtic Name: 4-[[(4-cyclohexylphenyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid Openeye Name: 4-[(N-tert-butoxycarbonyl-4-cyclohexyl-anilino)methyl]benzoic acid CAS Name: 4-[(4-cyclohexyl-N-[(2-methylpropan-2-yl)oxy-oxomethyl]anilino)methyl]benzoic acid IUPAC Name: 4-[[4-cyclohexyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]methyl]benzoic acid Traditional Name: 4-[(N-tert-butoxycarbonyl-4-cyclohexyl-anilino)methyl]benzoic acid Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)C(=O)O)C2=CC=C(C=C2)C3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)C(=O)O)C2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C25H31NO4/c1-25(2,3)30-24(29)26(17-18-9-11-21(12-10-18)23(27)28)22-15-13-20(14-16-22)19-7-5-4-6-8-19/h9-16,19H,4-8,17H2,1-3H3,(H,27,28)