[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-[2-(4-tert-butylphenoxy)ethylamino]-2-keto-ethyl] ester Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C24H26N2O5/c1-24(2,3)17-8-10-18(11-9-17)30-13-12-25-21(27)15-31-23(29)20-14-16-6-4-5-7-19(16)22(28)26-20/h4-11,14H,12-13,15H2,1-3H3,(H,25,27)(H,26,28)