2-[(3R)-2-methyl-7-phenyl-hept-4-yn-3-yl]propanedioic acid

Systemtic Name: 2-[(3R)-2-methyl-7-phenyl-hept-4-yn-3-yl]propanedioic acid Openeye Name: 2-[(1R)-1-isopropyl-5-phenyl-pent-2-ynyl]propanedioic acid CAS Name: 2-[(3R)-2-methyl-7-phenylhept-4-yn-3-yl]propanedioic acid IUPAC Name: 2-[(3R)-2-methyl-7-phenylhept-4-yn-3-yl]propanedioic acid Traditional Name: 2-[(1R)-1-isopropyl-5-phenyl-pent-2-ynyl]malonic acid Formula: C17H20O4 MolecularWeight: 288.3383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#CCCC1=CC=CC=C1)C(C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H20O4/c1-12(2)14(15(16(18)19)17(20)21)11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9,12,14-15H,6,10H2,1-2H3,(H,18,19)(H,20,21)/t14-/m1/s1