1-butoxycarbonyl-4-naphthalen-2-yl-piperidine-4-carboxylic acid

Systemtic Name: 1-butoxycarbonyl-4-naphthalen-2-yl-piperidine-4-carboxylic acid Openeye Name: 1-butoxycarbonyl-4-(2-naphthyl)piperidine-4-carboxylic acid CAS Name: 1-[butoxy(oxo)methyl]-4-(2-naphthalenyl)-4-piperidinecarboxylic acid IUPAC Name: 1-butoxycarbonyl-4-naphthalen-2-ylpiperidine-4-carboxylic acid Traditional Name: 1-butoxycarbonyl-4-(2-naphthyl)isonipecotic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CCC(CC1)(C2=CC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

CCCCOC(=O)N1CCC(CC1)(C2=CC3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C21H25NO4/c1-2-3-14-26-20(25)22-12-10-21(11-13-22,19(23)24)18-9-8-16-6-4-5-7-17(16)15-18/h4-9,15H,2-3,10-14H2,1H3,(H,23,24)