[7-(2-methyl-1,3-dioxolan-2-yl)-1-phenyl-5-(phenylmethyl)hept-2-yn-4-yl] benzoate

Systemtic Name: [7-(2-methyl-1,3-dioxolan-2-yl)-1-phenyl-5-(phenylmethyl)hept-2-yn-4-yl] benzoate Openeye Name: [1-[1-benzyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-4-phenyl-but-2-ynyl] benzoate CAS Name: benzoic acid [7-(2-methyl-1,3-dioxolan-2-yl)-1-phenyl-5-(phenylmethyl)hept-2-yn-4-yl] ester IUPAC Name: [5-benzyl-7-(2-methyl-1,3-dioxolan-2-yl)-1-phenylhept-2-yn-4-yl] benzoate Traditional Name: benzoic acid [1-[1-benzyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-4-phenyl-but-2-ynyl] ester Formula: C31H32O4 MolecularWeight: 468.58338

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCCO1)CCC(CC2=CC=CC=C2)C(C#CCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1(OCCO1)CCC(CC2=CC=CC=C2)C(C#CCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H32O4/c1-31(33-22-23-34-31)21-20-28(24-26-14-7-3-8-15-26)29(19-11-16-25-12-5-2-6-13-25)35-30(32)27-17-9-4-10-18-27/h2-10,12-15,17-18,28-29H,16,20-24H2,1H3