1-chloranyl-4-[3-methyl-1-[1-(3-phenoxyphenyl)prop-2-ynoxy]butan-2-yl]benzene

Systemtic Name: 1-chloranyl-4-[3-methyl-1-[1-(3-phenoxyphenyl)prop-2-ynoxy]butan-2-yl]benzene Openeye Name: 1-chloro-4-[2-methyl-1-[1-(3-phenoxyphenyl)prop-2-ynoxymethyl]propyl]benzene CAS Name: 1-chloro-4-[3-methyl-1-[1-(3-phenoxyphenyl)prop-2-ynoxy]butan-2-yl]benzene IUPAC Name: 1-chloro-4-[3-methyl-1-[1-(3-phenoxyphenyl)prop-2-ynoxy]butan-2-yl]benzene Traditional Name: 1-chloro-4-[2-methyl-1-[1-(3-phenoxyphenyl)prop-2-ynoxymethyl]propyl]benzene Formula: C26H25ClO2 MolecularWeight: 404.9285

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(COC(C#C)C1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C(COC(C#C)C1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H25ClO2/c1-4-26(28-18-25(19(2)3)20-13-15-22(27)16-14-20)21-9-8-12-24(17-21)29-23-10-6-5-7-11-23/h1,5-17,19,25-26H,18H2,2-3H3