4-[(3-methoxyphenyl)methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

Systemtic Name: 4-[(3-methoxyphenyl)methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[(3-methoxyphenyl)methylamino]piperidine-3-carboxylic acid CAS Name: 4-[(3-methoxyphenyl)methylamino]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[(3-methoxyphenyl)methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-(m-anisylamino)nipecotic acid Formula: C19H28N2O5 MolecularWeight: 364.43602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C(C1)C(=O)O)NCC2=CC(=CC=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C(C1)C(=O)O)NCC2=CC(=CC=C2)OC

InChI

InChI=1S/C19H28N2O5/c1-19(2,3)26-18(24)21-9-8-16(15(12-21)17(22)23)20-11-13-6-5-7-14(10-13)25-4/h5-7,10,15-16,20H,8-9,11-12H2,1-4H3,(H,22,23)