N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N'-(4-methylphenyl)butanediamide

Systemtic Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N'-(4-methylphenyl)butanediamide Openeye Name: N-[[(1S)-isochroman-1-yl]methyl]-N'-(p-tolyl)butanediamide CAS Name: N-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]-N'-(4-methylphenyl)butanediamide IUPAC Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N'-(4-methylphenyl)butanediamide Traditional Name: N-[[(1S)-isochroman-1-yl]methyl]-N'-(p-tolyl)succinamide Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CCC(=O)NCC2C3=CC=CC=C3CCO2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CCC(=O)NC[C@@H]2C3=CC=CC=C3CCO2

InChI

InChI=1S/C21H24N2O3/c1-15-6-8-17(9-7-15)23-21(25)11-10-20(24)22-14-19-18-5-3-2-4-16(18)12-13-26-19/h2-9,19H,10-14H2,1H3,(H,22,24)(H,23,25)/t19-/m1/s1