2-[[2-(3-methylbutanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide

Systemtic Name: 2-[[2-(3-methylbutanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide Openeye Name: N-allyl-2-[[2-(3-methylbutanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]oxazole-4-carboxamide CAS Name: 2-[[2-(3-methyl-1-oxobutyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-prop-2-enyl-4-oxazolecarboxamide IUPAC Name: 2-[[2-(3-methylbutanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide Traditional Name: N-allyl-2-[(2-isovaleryl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]oxazole-4-carboxamide Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCC2=C(C1C3=CC=CC=C3)C=C(C=C2)OCC4=NC(=CO4)C(=O)NCC=C

Isomeric SMILES

CC(C)CC(=O)N1CCC2=C(C1C3=CC=CC=C3)C=C(C=C2)OCC4=NC(=CO4)C(=O)NCC=C

InChI

InChI=1S/C28H31N3O4/c1-4-13-29-28(33)24-17-35-25(30-24)18-34-22-11-10-20-12-14-31(26(32)15-19(2)3)27(23(20)16-22)21-8-6-5-7-9-21/h4-11,16-17,19,27H,1,12-15,18H2,2-3H3,(H,29,33)