(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 3-(phenylcarbamoylamino)propanoate

Systemtic Name: (2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 3-(phenylcarbamoylamino)propanoate Openeye Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl 3-(phenylcarbamoylamino)propanoate CAS Name: 3-[[anilino(oxo)methyl]amino]propanoic acid (2-chloro-7,8-dimethyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7,8-dimethylquinolin-3-yl)methyl 3-(phenylcarbamoylamino)propanoate Traditional Name: 3-(phenylcarbamoylamino)propionic acid (2-chloro-7,8-dimethyl-3-quinolyl)methyl ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)CCNC(=O)NC3=CC=CC=C3)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)CCNC(=O)NC3=CC=CC=C3)Cl)C

InChI

InChI=1S/C22H22ClN3O3/c1-14-8-9-16-12-17(21(23)26-20(16)15(14)2)13-29-19(27)10-11-24-22(28)25-18-6-4-3-5-7-18/h3-9,12H,10-11,13H2,1-2H3,(H2,24,25,28)