3,4-dihydro-1H-isoquinolin-2-yl-(4-methoxyphenyl)methanone; (phenylmethyl) carbamate

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-methoxyphenyl)methanone; (phenylmethyl) carbamate Openeye Name: benzyl carbamate; 3,4-dihydro-1H-isoquinolin-2-yl-(4-methoxyphenyl)methanone CAS Name: carbamic acid (phenylmethyl) ester; 3,4-dihydro-1H-isoquinolin-2-yl-(4-methoxyphenyl)methanone IUPAC Name: benzyl carbamate; 3,4-dihydro-1H-isoquinolin-2-yl-(4-methoxyphenyl)methanone Traditional Name: carbamic acid benzyl ester; 3,4-dihydro-1H-isoquinolin-2-yl-(4-methoxyphenyl)methanone Formula: C25H26N2O4 MolecularWeight: 418.48494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2.C1=CC=C(C=C1)COC(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2.C1=CC=C(C=C1)COC(=O)N

InChI

InChI=1S/C17H17NO2.C8H9NO2/c1-20-16-8-6-14(7-9-16)17(19)18-11-10-13-4-2-3-5-15(13)12-18;9-8(10)11-6-7-4-2-1-3-5-7/h2-9H,10-12H2,1H3;1-5H,6H2,(H2,9,10)