[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2-[(3-methylphenyl)carbonylamino]ethanoate

Systemtic Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2-[(3-methylphenyl)carbonylamino]ethanoate Openeye Name: [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 2-[(3-methylbenzoyl)amino]acetate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]acetic acid [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate Traditional Name: 2-(m-toluoylamino)acetic acid [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-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)OC(C)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC(=O)O[C@H](C)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H24N2O4/c1-15-6-5-9-18(12-15)21(26)23-13-20(25)28-16(2)22(27)24-11-10-17-7-3-4-8-19(17)14-24/h3-9,12,16H,10-11,13-14H2,1-2H3,(H,23,26)/t16-/m1/s1