N-cyclohexylcyclohexanamine; 2-[(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxy-pyrrolidin-2-yl]ethanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; 2-[(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxy-pyrrolidin-2-yl]ethanoic acid Openeye Name: 2-[(2S,4R)-4-benzyloxy-1-tert-butoxycarbonyl-pyrrolidin-2-yl]acetic acid; N-cyclohexylcyclohexanamine CAS Name: N-cyclohexylcyclohexanamine; 2-[(2S,4R)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-phenylmethoxy-2-pyrrolidinyl]acetic acid IUPAC Name: N-cyclohexylcyclohexanamine; 2-[(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]acetic acid Traditional Name: 2-[(2S,4R)-4-benzoxy-1-tert-butoxycarbonyl-pyrrolidin-2-yl]acetic acid; dicyclohexylamine Formula: C30H48N2O5 MolecularWeight: 516.71252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1CC(=O)O)OCC2=CC=CC=C2.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1CC(=O)O)OCC2=CC=CC=C2.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C18H25NO5.C12H23N/c1-18(2,3)24-17(22)19-11-15(9-14(19)10-16(20)21)23-12-13-7-5-4-6-8-13;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,14-15H,9-12H2,1-3H3,(H,20,21);11-13H,1-10H2/t14-,15+;/m0./s1