N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N'-(2-methylphenyl)butanediamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CCC(=O)NCC2C3=CC=CC=C3CCO2

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CCC(=O)NC[C@@H]2C3=CC=CC=C3CCO2

InChI

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