[(E)-4-chloranyl-2-(phenylmethyl)but-2-enyl] 4-propan-2-ylbenzoate

Systemtic Name: [(E)-4-chloranyl-2-(phenylmethyl)but-2-enyl] 4-propan-2-ylbenzoate Openeye Name: [(E)-2-benzyl-4-chloro-but-2-enyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid [(E)-4-chloro-2-(phenylmethyl)but-2-enyl] ester IUPAC Name: [(E)-2-benzyl-4-chlorobut-2-enyl] 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [(E)-2-benzyl-4-chloro-but-2-enyl] ester Formula: C21H23ClO2 MolecularWeight: 342.85912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)OCC(=CCCl)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)OC/C(=C/CCl)/CC2=CC=CC=C2

InChI

InChI=1S/C21H23ClO2/c1-16(2)19-8-10-20(11-9-19)21(23)24-15-18(12-13-22)14-17-6-4-3-5-7-17/h3-12,16H,13-15H2,1-2H3/b18-12+