2-[(3S)-2-methyl-7-phenyl-hept-4-yn-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[(3S)-2-methyl-7-phenyl-hept-4-yn-3-yl]isoindole-1,3-dione Openeye Name: 2-[(1S)-1-isopropyl-5-phenyl-pent-2-ynyl]isoindoline-1,3-dione CAS Name: 2-[(3S)-2-methyl-7-phenylhept-4-yn-3-yl]isoindole-1,3-dione IUPAC Name: 2-[(3S)-2-methyl-7-phenylhept-4-yn-3-yl]isoindole-1,3-dione Traditional Name: 2-[(1S)-1-isopropyl-5-phenyl-pent-2-ynyl]isoindoline-1,3-quinone Formula: C22H21NO2 MolecularWeight: 331.40764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#CCCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)[C@@H](C#CCCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H21NO2/c1-16(2)20(15-9-6-12-17-10-4-3-5-11-17)23-21(24)18-13-7-8-14-19(18)22(23)25/h3-5,7-8,10-11,13-14,16,20H,6,12H2,1-2H3/t20-/m1/s1