(3S)-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-(4-hydroxyphenyl)-3-phenyl-propanamide

Systemtic Name: (3S)-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-(4-hydroxyphenyl)-3-phenyl-propanamide Openeye Name: (3S)-3-(4-hydroxyphenyl)-N-[[(1R)-isochroman-1-yl]methyl]-3-phenyl-propanamide CAS Name: (3S)-N-[[(1R)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]-3-(4-hydroxyphenyl)-3-phenylpropanamide IUPAC Name: (3S)-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-(4-hydroxyphenyl)-3-phenylpropanamide Traditional Name: (3S)-3-(4-hydroxyphenyl)-N-[[(1R)-isochroman-1-yl]methyl]-3-phenyl-propionamide Formula: C25H25NO3 MolecularWeight: 387.4709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO3/c27-21-12-10-20(11-13-21)23(18-6-2-1-3-7-18)16-25(28)26-17-24-22-9-5-4-8-19(22)14-15-29-24/h1-13,23-24,27H,14-17H2,(H,26,28)/t23-,24-/m0/s1