(3aS,7aR)-2-(4-butylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aS,7aR)-2-(4-butylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,7aR)-2-(4-butylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,7aR)-2-(4-butylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,7aR)-2-(4-butylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,7aR)-2-(4-butylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C18H21NO2 MolecularWeight: 283.36484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3CC=CCC3C2=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O

InChI

InChI=1S/C18H21NO2/c1-2-3-6-13-9-11-14(12-10-13)19-17(20)15-7-4-5-8-16(15)18(19)21/h4-5,9-12,15-16H,2-3,6-8H2,1H3/t15-,16+