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

Systemtic Name: [4-[[7-(cyclohexa-1,3-dien-1-ylcarbonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-methoxy-phenyl] carbamate Openeye Name: [4-[[7-(cyclohexa-1,3-diene-1-carbonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-methoxy-phenyl] carbamate CAS Name: carbamic acid [4-[[7-[[1-cyclohexa-1,3-dienyl(oxo)methyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[[7-(cyclohexa-1,3-diene-1-carbonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-methoxyphenyl] carbamate Traditional Name: carbamic acid [4-[[7-(cyclohexa-1,3-diene-1-carbonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-methoxy-phenyl] ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CCC4)OC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CCC4)OC(=O)N

InChI

InChI=1S/C25H27N3O4/c1-31-23-13-17(7-10-22(23)32-25(26)30)15-28-12-11-18-8-9-21(14-20(18)16-28)27-24(29)19-5-3-2-4-6-19/h2-3,5,7-10,13-14H,4,6,11-12,15-16H2,1H3,(H2,26,30)(H,27,29)