[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-[(4-tert-butylphenyl)carbonylamino]ethanoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-[(4-tert-butylphenyl)carbonylamino]ethanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C24H28N2O4/c1-24(2,3)20-10-8-18(9-11-20)23(29)25-14-22(28)30-16-21(27)26-13-12-17-6-4-5-7-19(17)15-26/h4-11H,12-16H2,1-3H3,(H,25,29)