(3S)-2-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[(3-ethoxy-4-hydroxy-phenyl)methyl]-N-(2-furylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-(2-furanylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(3-ethoxy-4-hydroxy-benzyl)-N-(2-furfuryl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H26N2O4 MolecularWeight: 406.47424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CC3=CC=CC=C3CC2C(=O)NCC4=CC=CO4)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CC3=CC=CC=C3C[C@H]2C(=O)NCC4=CC=CO4)O

InChI

InChI=1S/C24H26N2O4/c1-2-29-23-12-17(9-10-22(23)27)15-26-16-19-7-4-3-6-18(19)13-21(26)24(28)25-14-20-8-5-11-30-20/h3-12,21,27H,2,13-16H2,1H3,(H,25,28)/t21-/m0/s1