(4aR,8aR)-8a-but-3-enyl-2-hex-5-enyl-3,4,4a,5-tetrahydro-1H-isoquinolin-6-one

Systemtic Name: (4aR,8aR)-8a-but-3-enyl-2-hex-5-enyl-3,4,4a,5-tetrahydro-1H-isoquinolin-6-one Openeye Name: (4aR,8aR)-8a-but-3-enyl-2-hex-5-enyl-3,4,4a,5-tetrahydro-1H-isoquinolin-6-one CAS Name: (4aR,8aR)-8a-but-3-enyl-2-hex-5-enyl-3,4,4a,5-tetrahydro-1H-isoquinolin-6-one IUPAC Name: (4aR,8aR)-8a-but-3-enyl-2-hex-5-enyl-3,4,4a,5-tetrahydro-1H-isoquinolin-6-one Traditional Name: (4aR,8aR)-8a-but-3-enyl-2-hex-5-enyl-3,4,4a,5-tetrahydro-1H-isoquinolin-6-one Formula: C19H29NO MolecularWeight: 287.43966

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCN1CCC2CC(=O)C=CC2(C1)CCC=C

Isomeric SMILES

C=CCCCCN1CC[C@@H]2CC(=O)C=C[C@@]2(C1)CCC=C

InChI

InChI=1S/C19H29NO/c1-3-5-7-8-13-20-14-10-17-15-18(21)9-12-19(17,16-20)11-6-4-2/h3-4,9,12,17H,1-2,5-8,10-11,13-16H2/t17-,19-/m1/s1