3-[(4-aminophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

Systemtic Name: 3-[(4-aminophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid Openeye Name: 3-[(4-aminophenyl)methyl]-1-tert-butoxycarbonyl-piperidine-3-carboxylic acid CAS Name: 3-[(4-aminophenyl)methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 3-[(4-aminophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid Traditional Name: 3-(4-aminobenzyl)-1-tert-butoxycarbonyl-nipecotic acid Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)(CC2=CC=C(C=C2)N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)(CC2=CC=C(C=C2)N)C(=O)O

InChI

InChI=1S/C18H26N2O4/c1-17(2,3)24-16(23)20-10-4-9-18(12-20,15(21)22)11-13-5-7-14(19)8-6-13/h5-8H,4,9-12,19H2,1-3H3,(H,21,22)