N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-4-(3-phenoxypropanoylamino)benzamide

Systemtic Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-4-(3-phenoxypropanoylamino)benzamide Openeye Name: N-[[(1S)-isochroman-1-yl]methyl]-4-(3-phenoxypropanoylamino)benzamide CAS Name: N-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]-4-[(1-oxo-3-phenoxypropyl)amino]benzamide IUPAC Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-4-(3-phenoxypropanoylamino)benzamide Traditional Name: N-[[(1S)-isochroman-1-yl]methyl]-4-(3-phenoxypropanoylamino)benzamide Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CNC(=O)C3=CC=C(C=C3)NC(=O)CCOC4=CC=CC=C4

Isomeric SMILES

C1CO[C@@H](C2=CC=CC=C21)CNC(=O)C3=CC=C(C=C3)NC(=O)CCOC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O4/c29-25(15-17-31-22-7-2-1-3-8-22)28-21-12-10-20(11-13-21)26(30)27-18-24-23-9-5-4-6-19(23)14-16-32-24/h1-13,24H,14-18H2,(H,27,30)(H,28,29)/t24-/m1/s1