4a-(3-methoxyphenyl)-2-pentyl-4,5,6,7-tetrahydroisoquinoline-1,3-dione

Systemtic Name: 4a-(3-methoxyphenyl)-2-pentyl-4,5,6,7-tetrahydroisoquinoline-1,3-dione Openeye Name: 4a-(3-methoxyphenyl)-2-pentyl-4,5,6,7-tetrahydroisoquinoline-1,3-dione CAS Name: 4a-(3-methoxyphenyl)-2-pentyl-4,5,6,7-tetrahydroisoquinoline-1,3-dione IUPAC Name: 4a-(3-methoxyphenyl)-2-pentyl-4,5,6,7-tetrahydroisoquinoline-1,3-dione Traditional Name: 2-amyl-4a-(3-methoxyphenyl)-4,5,6,7-tetrahydroisoquinoline-1,3-quinone Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)CC2(CCCC=C2C1=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCCCN1C(=O)CC2(CCCC=C2C1=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H27NO3/c1-3-4-7-13-22-19(23)15-21(12-6-5-11-18(21)20(22)24)16-9-8-10-17(14-16)25-2/h8-11,14H,3-7,12-13,15H2,1-2H3