(9aR)-3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]-7H-furo[3,2-g]isoquinoline-2,9-dione

Systemtic Name: (9aR)-3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]-7H-furo[3,2-g]isoquinoline-2,9-dione Openeye Name: (9aR)-3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]-7H-furo[3,2-g]isoquinoline-2,9-dione CAS Name: (9aR)-9a-methyl-3-(1-oxohexyl)-6-[(E)-prop-1-enyl]-7H-furo[3,2-g]isoquinoline-2,9-dione IUPAC Name: (9aR)-3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]-7H-furo[3,2-g]isoquinoline-2,9-dione Traditional Name: (9aR)-3-caproyl-9a-methyl-6-[(E)-prop-1-enyl]-7H-fur[3,2-g]isoquinoline-2,9-quinone Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=C2C=C3C=C(NC=C3C(=O)C2(OC1=O)C)C=CC

Isomeric SMILES

CCCCCC(=O)C1=C2C=C3C=C(NC=C3C(=O)[C@@]2(OC1=O)C)/C=C/C

InChI

InChI=1S/C21H23NO4/c1-4-6-7-9-17(23)18-16-11-13-10-14(8-5-2)22-12-15(13)19(24)21(16,3)26-20(18)25/h5,8,10-12,22H,4,6-7,9H2,1-3H3/b8-5+/t21-/m1/s1