(3S)-2-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(4-benzyloxy-3-bromo-5-methoxy-benzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(3-bromo-5-methoxy-4-phenylmethoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(4-benzoxy-3-bromo-5-methoxy-benzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H23BrN2O4 MolecularWeight: 495.36512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)N)Br)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)N)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C25H23BrN2O4/c1-31-22-13-19(11-20(26)23(22)32-15-16-7-3-2-4-8-16)25(30)28-14-18-10-6-5-9-17(18)12-21(28)24(27)29/h2-11,13,21H,12,14-15H2,1H3,(H2,27,29)/t21-/m0/s1