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

Systemtic Name: ethyl 2-[[7-[(2-methoxyphenyl)carbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[7-[(2-methoxybenzoyl)amino]-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]acetate CAS Name: 2-[[[7-[[(2-methoxyphenyl)-oxomethyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[7-[(2-methoxybenzoyl)amino]-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]acetate Traditional Name: 2-[[7-(o-anisoylamino)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]acetic acid ethyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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=C3OC

Isomeric SMILES

CCOC(=O)CNC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C22H25N3O5/c1-3-30-20(26)13-23-22(28)25-11-10-15-8-9-17(12-16(15)14-25)24-21(27)18-6-4-5-7-19(18)29-2/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,23,28)(H,24,27)