(3S)-2-[4-(4-ethanoylphenoxy)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[4-(4-ethanoylphenoxy)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[4-(4-acetylphenoxy)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[4-(4-acetylphenoxy)-1-oxobutyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[4-(4-acetylphenoxy)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[4-(4-acetylphenoxy)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCCCC(=O)N2CC3=CC=CC=C3CC2C(=O)N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCCCC(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)N

InChI

InChI=1S/C22H24N2O4/c1-15(25)16-8-10-19(11-9-16)28-12-4-7-21(26)24-14-18-6-3-2-5-17(18)13-20(24)22(23)27/h2-3,5-6,8-11,20H,4,7,12-14H2,1H3,(H2,23,27)/t20-/m0/s1