[6-(2-methyl-1,3-dioxolan-2-yl)-4-(phenylmethyl)hex-1-yn-3-yl] benzoate

Systemtic Name: [6-(2-methyl-1,3-dioxolan-2-yl)-4-(phenylmethyl)hex-1-yn-3-yl] benzoate Openeye Name: [2-benzyl-1-ethynyl-4-(2-methyl-1,3-dioxolan-2-yl)butyl] benzoate CAS Name: benzoic acid [6-(2-methyl-1,3-dioxolan-2-yl)-4-(phenylmethyl)hex-1-yn-3-yl] ester IUPAC Name: [4-benzyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-1-yn-3-yl] benzoate Traditional Name: benzoic acid 1-[1-benzyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]prop-2-ynyl ester Formula: C24H26O4 MolecularWeight: 378.46084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26O4/c1-3-22(28-23(25)20-12-8-5-9-13-20)21(18-19-10-6-4-7-11-19)14-15-24(2)26-16-17-27-24/h1,4-13,21-22H,14-18H2,2H3