[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [(1S)-2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [(1S)-2-keto-2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-ethyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)OC)OC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=C(C=C1)OC)OC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C22H22N2O5/c1-14(20(25)23-12-11-15-7-9-17(28-2)10-8-15)29-22(27)19-13-16-5-3-4-6-18(16)21(26)24-19/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)/t14-/m0/s1