[2-[2-(cyclohexa-1,3-dien-1-ylcarbonylamino)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-7-yl] carbamate

Systemtic Name: [2-[2-(cyclohexa-1,3-dien-1-ylcarbonylamino)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-7-yl] carbamate Openeye Name: [2-[2-(cyclohexa-1,3-diene-1-carbonylamino)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-7-yl] carbamate CAS Name: carbamic acid [2-[2-[[1-cyclohexa-1,3-dienyl(oxo)methyl]amino]ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-7-yl] ester IUPAC Name: [2-[2-(cyclohexa-1,3-diene-1-carbonylamino)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-7-yl] carbamate Traditional Name: carbamic acid [2-[2-(cyclohexa-1,3-diene-1-carbonylamino)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-7-yl] ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CCNC(=O)C3=CC=CCC3)OC(=O)N

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CCNC(=O)C3=CC=CCC3)OC(=O)N

InChI

InChI=1S/C20H25N3O4/c1-26-17-11-15-7-9-23(13-16(15)12-18(17)27-20(21)25)10-8-22-19(24)14-5-3-2-4-6-14/h2-3,5,11-12H,4,6-10,13H2,1H3,(H2,21,25)(H,22,24)