[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,5-dimethylphenyl)-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-[(3,5-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,5-dimethylbenzoyl)amino]acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)N2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)N2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C22H24N2O4/c1-15-9-16(2)11-19(10-15)22(27)23-12-21(26)28-14-20(25)24-8-7-17-5-3-4-6-18(17)13-24/h3-6,9-11H,7-8,12-14H2,1-2H3,(H,23,27)