(3S)-2-[(2S)-2-oxidanyl-3-(4-phenylphenoxy)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[(2S)-2-oxidanyl-3-(4-phenylphenoxy)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)CC(COC3=CC=C(C=C3)C4=CC=CC=C4)O)C(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C[C@@H](COC3=CC=C(C=C3)C4=CC=CC=C4)O)C(=O)N

InChI

InChI=1S/C25H26N2O3/c26-25(29)24-14-20-8-4-5-9-21(20)15-27(24)16-22(28)17-30-23-12-10-19(11-13-23)18-6-2-1-3-7-18/h1-13,22,24,28H,14-17H2,(H2,26,29)/t22-,24-/m0/s1