methyl 4-[[7-(oxolan-2-ylcarbonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzoate

Systemtic Name: methyl 4-[[7-(oxolan-2-ylcarbonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzoate Openeye Name: methyl 4-[[7-(tetrahydrofuran-2-carbonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzoate CAS Name: 4-[[7-[[oxo(2-oxolanyl)methyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[7-(oxolane-2-carbonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzoate Traditional Name: 4-[[7-(tetrahydrofuran-2-carbonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzoic acid methyl ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCC3=C(C2)C=C(C=C3)NC(=O)C4CCCO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCC3=C(C2)C=C(C=C3)NC(=O)C4CCCO4

InChI

InChI=1S/C23H26N2O4/c1-28-23(27)18-6-4-16(5-7-18)14-25-11-10-17-8-9-20(13-19(17)15-25)24-22(26)21-3-2-12-29-21/h4-9,13,21H,2-3,10-12,14-15H2,1H3,(H,24,26)