(phenylmethyl) (3R)-3-[(E)-3-azanyl-3-oxidanylidene-prop-1-enyl]-3,4-dihydro-2H-quinoline-1-carboxylate

Systemtic Name: (phenylmethyl) (3R)-3-[(E)-3-azanyl-3-oxidanylidene-prop-1-enyl]-3,4-dihydro-2H-quinoline-1-carboxylate Openeye Name: benzyl (3R)-3-[(E)-3-amino-3-oxo-prop-1-enyl]-3,4-dihydro-2H-quinoline-1-carboxylate CAS Name: (3R)-3-[(E)-3-amino-3-oxoprop-1-enyl]-3,4-dihydro-2H-quinoline-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3R)-3-[(E)-3-amino-3-oxoprop-1-enyl]-3,4-dihydro-2H-quinoline-1-carboxylate Traditional Name: (3R)-3-[(E)-3-amino-3-keto-prop-1-enyl]-3,4-dihydro-2H-quinoline-1-carboxylic acid benzyl ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C=CC(=O)N

Isomeric SMILES

C1[C@@H](CN(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)/C=C/C(=O)N

InChI

InChI=1S/C20H20N2O3/c21-19(23)11-10-16-12-17-8-4-5-9-18(17)22(13-16)20(24)25-14-15-6-2-1-3-7-15/h1-11,16H,12-14H2,(H2,21,23)/b11-10+/t16-/m0/s1