[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] 4-acetamidobenzoate

Systemtic Name: [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] 4-acetamidobenzoate Openeye Name: [(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

C[C@H](C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H22N2O4/c1-14(20(25)23-13-5-7-16-6-3-4-8-19(16)23)27-21(26)17-9-11-18(12-10-17)22-15(2)24/h3-4,6,8-12,14H,5,7,13H2,1-2H3,(H,22,24)/t14-/m1/s1