4-[7-(1-butoxyethenyl)naphthalen-1-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[7-(1-butoxyethenyl)naphthalen-1-yl]piperazine-1-carboxylic acid Openeye Name: 4-[7-(1-butoxyvinyl)-1-naphthyl]piperazine-1-carboxylic acid CAS Name: 4-[7-(1-butoxyethenyl)-1-naphthalenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[7-(1-butoxyethenyl)naphthalen-1-yl]piperazine-1-carboxylic acid Traditional Name: 4-[7-(1-butoxyvinyl)-1-naphthyl]piperazine-1-carboxylic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=C)C1=CC2=C(C=CC=C2N3CCN(CC3)C(=O)O)C=C1

Isomeric SMILES

CCCCOC(=C)C1=CC2=C(C=CC=C2N3CCN(CC3)C(=O)O)C=C1

InChI

InChI=1S/C21H26N2O3/c1-3-4-14-26-16(2)18-9-8-17-6-5-7-20(19(17)15-18)22-10-12-23(13-11-22)21(24)25/h5-9,15H,2-4,10-14H2,1H3,(H,24,25)