[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=C(C2=CC=CC=C2C(=C1)O)O

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=C(C2=CC=CC=C2C(=C1)O)O

InChI

InChI=1S/C18H21NO5/c1-11(2)7-8-19-16(21)10-24-18(23)14-9-15(20)12-5-3-4-6-13(12)17(14)22/h3-6,9,11,20,22H,7-8,10H2,1-2H3,(H,19,21)