4-[4-[(3E)-3-azanyl-3-hydroxyimino-propyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid

Systemtic Name: 4-[4-[(3E)-3-azanyl-3-hydroxyimino-propyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid Openeye Name: 4-[4-[(3E)-3-amino-3-hydroxyimino-propyl]phenyl]-3-(2-naphthylmethoxy)piperidine-1-carboxylic acid CAS Name: 4-[4-[(3E)-3-amino-3-hydroxyiminopropyl]phenyl]-3-(2-naphthalenylmethoxy)-1-piperidinecarboxylic acid IUPAC Name: 4-[4-[(3E)-3-amino-3-hydroxyiminopropyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid Traditional Name: 4-[4-[(3E)-3-amino-3-hydroximino-propyl]phenyl]-3-(2-naphthylmethoxy)piperidine-1-carboxylic acid Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)CCC(=NO)N)OCC3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)CC/C(=N\O)/N)OCC3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C26H29N3O4/c27-25(28-32)12-8-18-5-10-21(11-6-18)23-13-14-29(26(30)31)16-24(23)33-17-19-7-9-20-3-1-2-4-22(20)15-19/h1-7,9-11,15,23-24,32H,8,12-14,16-17H2,(H2,27,28)(H,30,31)