hexyl 6-azanyl-2-[3,4-bis(oxidanylidene)naphthalen-1-yl]oxy-hexanoate

Systemtic Name: hexyl 6-azanyl-2-[3,4-bis(oxidanylidene)naphthalen-1-yl]oxy-hexanoate Openeye Name: hexyl 6-amino-2-[(3,4-dioxo-1-naphthyl)oxy]hexanoate CAS Name: 6-amino-2-[(3,4-dioxo-1-naphthalenyl)oxy]hexanoic acid hexyl ester IUPAC Name: hexyl 6-amino-2-(3,4-dioxonaphthalen-1-yl)oxyhexanoate Traditional Name: 6-amino-2-(3,4-diketo-1-naphthoxy)hexanoic acid hexyl ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CCCCN)OC1=CC(=O)C(=O)C2=CC=CC=C21

Isomeric SMILES

CCCCCCOC(=O)C(CCCCN)OC1=CC(=O)C(=O)C2=CC=CC=C21

InChI

InChI=1S/C22H29NO5/c1-2-3-4-9-14-27-22(26)19(12-7-8-13-23)28-20-15-18(24)21(25)17-11-6-5-10-16(17)20/h5-6,10-11,15,19H,2-4,7-9,12-14,23H2,1H3