methyl 2-[4-[(2-bromophenyl)methoxy]-3-(4-oxidanylbut-1-ynyl)phenyl]ethanoate

Systemtic Name: methyl 2-[4-[(2-bromophenyl)methoxy]-3-(4-oxidanylbut-1-ynyl)phenyl]ethanoate Openeye Name: methyl 2-[4-[(2-bromophenyl)methoxy]-3-(4-hydroxybut-1-ynyl)phenyl]acetate CAS Name: 2-[4-[(2-bromophenyl)methoxy]-3-(4-hydroxybut-1-ynyl)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(2-bromophenyl)methoxy]-3-(4-hydroxybut-1-ynyl)phenyl]acetate Traditional Name: 2-[4-(2-bromobenzyl)oxy-3-(4-hydroxybut-1-ynyl)phenyl]acetic acid methyl ester Formula: C20H19BrO4 MolecularWeight: 403.26646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=C(C=C1)OCC2=CC=CC=C2Br)C#CCCO

Isomeric SMILES

COC(=O)CC1=CC(=C(C=C1)OCC2=CC=CC=C2Br)C#CCCO

InChI

InChI=1S/C20H19BrO4/c1-24-20(23)13-15-9-10-19(16(12-15)6-4-5-11-22)25-14-17-7-2-3-8-18(17)21/h2-3,7-10,12,22H,5,11,13-14H2,1H3