1-[[2-(4-naphthalen-2-ylbutyl)-1,3-benzoxazol-5-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[2-(4-naphthalen-2-ylbutyl)-1,3-benzoxazol-5-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[2-[4-(2-naphthyl)butyl]-1,3-benzoxazol-5-yl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-[4-(2-naphthalenyl)butyl]-1,3-benzoxazol-5-yl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[2-(4-naphthalen-2-ylbutyl)-1,3-benzoxazol-5-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[2-[4-(2-naphthyl)butyl]-1,3-benzoxazol-5-yl]methyl]isonipecotic acid Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=CC3=C(C=C2)OC(=N3)CCCCC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=CC3=C(C=C2)OC(=N3)CCCCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H30N2O3/c31-28(32)23-13-15-30(16-14-23)19-21-10-12-26-25(18-21)29-27(33-26)8-4-1-5-20-9-11-22-6-2-3-7-24(22)17-20/h2-3,6-7,9-12,17-18,23H,1,4-5,8,13-16,19H2,(H,31,32)