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

Systemtic Name: 2-hexyl-4a-(3-methoxyphenyl)-4,5,6,7-tetrahydroisoquinoline-1,3-dione Openeye Name: 2-hexyl-4a-(3-methoxyphenyl)-4,5,6,7-tetrahydroisoquinoline-1,3-dione CAS Name: 2-hexyl-4a-(3-methoxyphenyl)-4,5,6,7-tetrahydroisoquinoline-1,3-dione IUPAC Name: 2-hexyl-4a-(3-methoxyphenyl)-4,5,6,7-tetrahydroisoquinoline-1,3-dione Traditional Name: 2-hexyl-4a-(3-methoxyphenyl)-4,5,6,7-tetrahydroisoquinoline-1,3-quinone Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)CC2(CCCC=C2C1=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCCCCN1C(=O)CC2(CCCC=C2C1=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H29NO3/c1-3-4-5-8-14-23-20(24)16-22(13-7-6-12-19(22)21(23)25)17-10-9-11-18(15-17)26-2/h9-12,15H,3-8,13-14,16H2,1-2H3