ethyl 2-[[7-[(2-chlorophenyl)carbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[7-[(2-chlorophenyl)carbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[7-[(2-chlorobenzoyl)amino]-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]acetate CAS Name: 2-[[[7-[[(2-chlorophenyl)-oxomethyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[7-[(2-chlorobenzoyl)amino]-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]acetate Traditional Name: 2-[[7-[(2-chlorobenzoyl)amino]-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]acetic acid ethyl ester Formula: C21H22ClN3O4 MolecularWeight: 415.87008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)CNC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H22ClN3O4/c1-2-29-19(26)12-23-21(28)25-10-9-14-7-8-16(11-15(14)13-25)24-20(27)17-5-3-4-6-18(17)22/h3-8,11H,2,9-10,12-13H2,1H3,(H,23,28)(H,24,27)