butyl 4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)benzoate

Systemtic Name: butyl 4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)benzoate Openeye Name: butyl 4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)benzoate CAS Name: 4-[[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)benzoate Traditional Name: 4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)benzoic acid butyl ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H24N2O3/c1-2-3-14-26-20(24)17-8-10-19(11-9-17)22-21(25)23-13-12-16-6-4-5-7-18(16)15-23/h4-11H,2-3,12-15H2,1H3,(H,22,25)