N-[(2-heptanoyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[(2-heptanoyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[(2-heptanoyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-3,4,5-trimethoxy-benzamide CAS Name: 3,4,5-trimethoxy-N-[[2-(1-oxoheptyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide IUPAC Name: N-[(2-heptanoyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(2-enanthyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-3,4,5-trimethoxy-benzamide Formula: C27H36N2O5 MolecularWeight: 468.58514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1CCC2=CC=CC=C2C1CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCCCCCC(=O)N1CCC2=CC=CC=C2C1CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C27H36N2O5/c1-5-6-7-8-13-25(30)29-15-14-19-11-9-10-12-21(19)22(29)18-28-27(31)20-16-23(32-2)26(34-4)24(17-20)33-3/h9-12,16-17,22H,5-8,13-15,18H2,1-4H3,(H,28,31)