2-azanyl-N-[(5-oxidanyl-3-phenyl-3,4-dihydro-1H-isochromen-1-yl)methyl]pentanamide

Systemtic Name: 2-azanyl-N-[(5-oxidanyl-3-phenyl-3,4-dihydro-1H-isochromen-1-yl)methyl]pentanamide Openeye Name: 2-amino-N-[(5-hydroxy-3-phenyl-isochroman-1-yl)methyl]pentanamide CAS Name: 2-amino-N-[(5-hydroxy-3-phenyl-3,4-dihydro-1H-2-benzopyran-1-yl)methyl]pentanamide IUPAC Name: 2-amino-N-[(5-hydroxy-3-phenyl-3,4-dihydro-1H-isochromen-1-yl)methyl]pentanamide Traditional Name: 2-amino-N-[(5-hydroxy-3-phenyl-isochroman-1-yl)methyl]valeramide Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCC1C2=C(CC(O1)C3=CC=CC=C3)C(=CC=C2)O)N

Isomeric SMILES

CCCC(C(=O)NCC1C2=C(CC(O1)C3=CC=CC=C3)C(=CC=C2)O)N

InChI

InChI=1S/C21H26N2O3/c1-2-7-17(22)21(25)23-13-20-15-10-6-11-18(24)16(15)12-19(26-20)14-8-4-3-5-9-14/h3-6,8-11,17,19-20,24H,2,7,12-13,22H2,1H3,(H,23,25)