4-[(2-hexoxynaphthalen-1-yl)methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(2-hexoxynaphthalen-1-yl)methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[(2-hexoxy-1-naphthyl)methylamino]-4-oxo-butanoate CAS Name: 4-[(2-hexoxy-1-naphthalenyl)methylamino]-4-oxobutanoate IUPAC Name: 4-[(2-hexoxynaphthalen-1-yl)methylamino]-4-oxobutanoate Traditional Name: 4-[(2-hexoxy-1-naphthyl)methylamino]-4-keto-butyrate Formula: C21H26NO4- MolecularWeight: 356.43544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C2=CC=CC=C2C=C1)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

CCCCCCOC1=C(C2=CC=CC=C2C=C1)CNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C21H27NO4/c1-2-3-4-7-14-26-19-11-10-16-8-5-6-9-17(16)18(19)15-22-20(23)12-13-21(24)25/h5-6,8-11H,2-4,7,12-15H2,1H3,(H,22,23)(H,24,25)/p-1