2-(butylamino)-2-[5-[1-(butylamino)-2-oxidanyl-2-oxidanylidene-ethyl]naphthalen-1-yl]ethanoic acid

Systemtic Name: 2-(butylamino)-2-[5-[1-(butylamino)-2-oxidanyl-2-oxidanylidene-ethyl]naphthalen-1-yl]ethanoic acid Openeye Name: 2-(butylamino)-2-[5-[1-(butylamino)-2-hydroxy-2-oxo-ethyl]-1-naphthyl]acetic acid CAS Name: 2-(butylamino)-2-[5-[1-(butylamino)-2-hydroxy-2-oxoethyl]-1-naphthalenyl]acetic acid IUPAC Name: 2-(butylamino)-2-[5-[1-(butylamino)-2-hydroxy-2-oxoethyl]naphthalen-1-yl]acetic acid Traditional Name: 2-(butylamino)-2-[5-[1-(butylamino)-2-hydroxy-2-keto-ethyl]-1-naphthyl]acetic acid Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(C1=CC=CC2=C1C=CC=C2C(C(=O)O)NCCCC)C(=O)O

Isomeric SMILES

CCCCNC(C1=CC=CC2=C1C=CC=C2C(C(=O)O)NCCCC)C(=O)O

InChI

InChI=1S/C22H30N2O4/c1-3-5-13-23-19(21(25)26)17-11-7-10-16-15(17)9-8-12-18(16)20(22(27)28)24-14-6-4-2/h7-12,19-20,23-24H,3-6,13-14H2,1-2H3,(H,25,26)(H,27,28)